CAS RN: 125620-73-7
CAS Name: 5-hydroxy-2-methylene-4-[(Z)-1-oxotetradec-6-enyl]-3-furanone
OPENEYE Name: 5-hydroxy-2-methylene-4-[(Z)-tetradec-6-enoyl]furan-3-one
IUPAC Name: 5-hydroxy-2-methylidene-4-[(Z)-tetradec-6-enoyl]furan-3-one
SYSTEMATIC NAME: 2-methylidene-5-oxidanyl-4-[(Z)-tetradec-6-enoyl]furan-3-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CCCCCCC/C=C\CCCCC(=O)C1=C(OC(=C)C1=O)O
Structure:
CAS RN: 125620-71-5
CAS Name: 5-hydroxy-2-methylene-4-[(Z)-1-oxododec-5-enyl]-3-furanone
OPENEYE Name: 4-[(Z)-dodec-5-enoyl]-5-hydroxy-2-methylene-furan-3-one
IUPAC Name: 4-[(Z)-dodec-5-enoyl]-5-hydroxy-2-methylidenefuran-3-one
SYSTEMATIC NAME: 4-[(Z)-dodec-5-enoyl]-2-methylidene-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CCCCCC/C=C\CCCC(=O)C1=C(OC(=C)C1=O)O
Structure:
CAS RN: 124649-26-9
CAS Name: 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
OPENEYE Name: 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxo-cyclopentyl]acetic acid
IUPAC Name: 2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
SYSTEMATIC NAME: 2-[(1R,2S)-3-oxidanylidene-2-[(Z)-5-oxidanylpent-2-enyl]cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: C1CC(=O)[C@H]([C@H]1CC(=O)O)C/C=C\CCO
Structure:
CAS RN: 124530-40-1
CAS Name: [(2E)-2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-indolyl]methanol hydrochloride
OPENEYE Name: [(2E)-2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]indol-3-yl]methanol hydrochloride
IUPAC Name: [(2E)-2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]indol-3-yl]methanol hydrochloride
SYSTEMATIC NAME: [(2E)-2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]indol-3-yl]methanol hydrochloride
MOLECULAR FORMULA: C20H21ClN2O
MOLECULAR WEIGHT: 340.84654
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C=C/2\C(=C3C=CC=CC3=N2)CO.Cl
Structure:
CAS RN: 123229-48-1
CAS Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-4-[(5-methoxy-6-methyl-2-oxanyl)oxy]-3,5-dimethyl-2-oxanyl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
OPENEYE Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-4-(5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3,5-dimethyl-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoi
IUPAC Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-4-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
SYSTEMATIC NAME: (E)-8-[3-[3-[6-(hydroxymethyl)-4-(5-methoxy-6-methyl-oxan-2-yl)oxy-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxidanylidene-non-6-enoic acid
MOLECULAR FORMULA: C47H78O14
MOLECULAR WEIGHT: 867.11382
SMILES: CC1CCC(OC12C(CC(O2)C3C(C(C(C(O3)(CO)O)C)OC4CCC(C(O4)C)OC)C)C)C5(CCC6(O5)CC(C(C(O6)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C
Structure:
CAS RN: 123163-72-4
CAS Name: (3Z,7Z,9S)-2,6-dimethylene-9-propan-2-yl-1-cyclodeca-3,7-dienone
OPENEYE Name: (3Z,7Z,9S)-9-isopropyl-2,6-dimethylene-cyclodeca-3,7-dien-1-one
IUPAC Name: (3Z,7Z,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
SYSTEMATIC NAME: (3Z,7Z,9S)-2,6-dimethylidene-9-propan-2-yl-cyclodeca-3,7-dien-1-one
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: CC(C)[C@@H]/1CC(=O)C(=C)/C=C\CC(=C)/C=C1
Structure:
CAS RN: 123064-74-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O5
MOLECULAR WEIGHT: 412.47882
SMILES: C/C=C/1\CN2CCC34C2(C(CC1C3(COC(=O)C)C(=O)OC)O)NC5=CC=CC=C45
Structure:
CAS RN: 122856-25-1
CAS Name: 2-methylpropanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 2-methylpropanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylpropanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 2-methylpropanoate
MOLECULAR FORMULA: C29H46NO10P
MOLECULAR WEIGHT: 599.650001
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)C(C)C)O)OP(=O)(O)O)O
Structure:
CAS RN: 122825-61-0
CAS Name: 2,2-dimethylpropanoic acid [6-[[5-acetyloxy-6-[[(11Z,13E)-4-acetyloxy-15-(acetyloxymethyl)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl
OPENEYE Name: [6-[5-acetoxy-6-[[(11Z,13E)-4-acetoxy-15-(acetoxymethyl)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 2,2-dimet
IUPAC Name: [6-[5-acetyloxy-6-[[(11Z,13E)-4-acetyloxy-15-(acetyloxymethyl)-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [6-[5-acetyloxy-6-[[(11Z,13E)-4-acetyloxy-15-(acetyloxymethyl)-16-ethyl-5,9,13-trimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 2
MOLECULAR FORMULA: C49H77NO17
MOLECULAR WEIGHT: 952.13218
SMILES: CCC1C(/C=C(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C(C)(C)C)(C)O)N(C)C)OC(=O)C)CC=O)C)\C)COC(=O)C
Structure:
CAS RN: 122525-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H46N4O19
MOLECULAR WEIGHT: 982.89424
SMILES: CC1/C=C(/C(=O)C2=C3C(=CC(=C2O)C)C(=O)C4=C(C3=O)OC(CN4)(C(=O)C(C1OC(=O)C5=C(C(=CC(=N5)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7)OC)O)OC8CC(C(C(O8)C)OC)(C)N=O)O)O)C)\C
Structure:
CAS RN: 122405-30-5
CAS Name: (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid phenacyl ester
OPENEYE Name: phenacyl (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
IUPAC Name: phenacyl (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
SYSTEMATIC NAME: phenacyl (5Z)-5-[4-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
MOLECULAR FORMULA: C30H38O5
MOLECULAR WEIGHT: 478.61972
SMILES: CC#CCC(C)C(/C=C/C1C(CC2C1C/C(=C\CCCC(=O)OCC(=O)C3=CC=CC=C3)/C2)O)O
Structure:
CAS RN: 122069-63-0
CAS Name: (5Z,7E,9E,11R,12S)-11-[[(2R)-2-amino-2-carboxyethyl]thio]-12-hydroxyhexadeca-5,7,9-trienedioic acid
OPENEYE Name: (5Z,7E,9E,11R,12S)-11-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-12-hydroxy-hexadeca-5,7,9-trienedioic acid
IUPAC Name: (5Z,7E,9E,11R,12S)-11-[(2R)-2-amino-2-carboxyethyl]sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid
SYSTEMATIC NAME: (5Z,7E,9E,11R,12S)-11-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-12-oxidanyl-hexadeca-5,7,9-trienedioic acid
MOLECULAR FORMULA: C19H29NO7S
MOLECULAR WEIGHT: 415.50106
SMILES: C(C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N)CC(=O)O
Structure:
CAS RN: 122047-12-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C66H96N4O18
MOLECULAR WEIGHT: 1233.48444
SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC(=O)CCC(=O)NCCCCN(CC)C8=CC9=C(C=C8)C(=O)NNC9=O)OC)OC)\C)C
Structure:
CAS RN: 121843-91-2
CAS Name: (5E,8R,9E,11Z)-8-acetyl-9-formylheptadeca-5,9,11-trienoic acid
OPENEYE Name: (5E,8R,9E,11Z)-8-acetyl-9-formyl-heptadeca-5,9,11-trienoic acid
IUPAC Name: (5E,8R,9E,11Z)-8-acetyl-9-formylheptadeca-5,9,11-trienoic acid
SYSTEMATIC NAME: (5E,8R,9E,11Z)-8-ethanoyl-9-methanoyl-heptadeca-5,9,11-trienoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC/C=C\C=C(\C=O)/[C@@H](C/C=C/CCCC(=O)O)C(=O)C
Structure:
CAS RN: 121634-35-3
CAS Name: 6-[[6-[[[[6-[4-[(E)-3-[(3-amino-3-iminopropyl)amino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyl-3-oxanyl]amino]-oxomethyl]amino]-5-(carbamoylamino)-4-hydroxy-3-oxanyl]oxy]-7-hydroxy-2-oxo-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]i
OPENEYE Name: 6-[6-[[6-[4-[(E)-3-[(3-amino-3-imino-propyl)amino]-3-oxo-prop-1-enyl]phenoxy]-5-guanidino-4-hydroxy-2-methyl-tetrahydropyran-3-yl]carbamoylamino]-4-hydroxy-5-ureido-tetrahydropyran-3-yl]oxy-7-hydroxy-2-oxo-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]imidazole-1-c
IUPAC Name: 6-[6-[[6-[4-[(E)-3-[(3-amino-3-iminopropyl)amino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl]carbamoylamino]-5-(carbamoylamino)-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2-oxo-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]imidazole-1-c
SYSTEMATIC NAME: 6-[5-(aminocarbonylamino)-6-[[6-[4-[(E)-3-[(3-azanyl-3-azanylidene-propyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]-5-[bis(azanyl)methylideneamino]-2-methyl-4-oxidanyl-oxan-3-yl]carbamoylamino]-4-oxidanyl-oxan-3-yl]oxy-7-oxidanyl-2-oxidanylidene-3,3a,5,
MOLECULAR FORMULA: C33H49N13O13
MOLECULAR WEIGHT: 835.82146
SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCC(=N)N)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4COC5C(C4O)N(C(=O)N5)C(=O)N)O)NC(=O)N
Structure:
CAS RN: 121634-34-2
CAS Name: (E)-N-(3-amino-3-iminopropyl)-3-[4-[[5-[[[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,5,6,7,7a-hexahydropyrano[3,2-d]oxazol-6-yl]oxy]-4-hydroxy-2-oxanyl]amino]-oxomethyl]amino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyl-2-oxanyl]oxy]phenyl]-
OPENEYE Name: (E)-N-(3-amino-3-imino-propyl)-3-[4-[3-guanidino-4-hydroxy-5-[[4-hydroxy-5-[(2-oxo-7-ureido-1,3a,5,6,7,7a-hexahydropyrano[3,2-d]oxazol-6-yl)oxy]-3-ureido-tetrahydropyran-2-yl]carbamoylamino]-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enamide
IUPAC Name: (E)-N-(3-amino-3-iminopropyl)-3-[4-[5-[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-6-yl]oxy]-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-e
SYSTEMATIC NAME: (E)-3-[4-[5-[[3-(aminocarbonylamino)-5-[[7-(aminocarbonylamino)-2-oxidanylidene-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-6-yl]oxy]-4-oxidanyl-oxan-2-yl]carbamoylamino]-3-[bis(azanyl)methylideneamino]-6-methyl-4-oxidanyl-oxan-2-yl]oxyphenyl]-N-(3-az
MOLECULAR FORMULA: C33H49N13O13
MOLECULAR WEIGHT: 835.82146
SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCC(=N)N)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4COC5C(C4NC(=O)N)NC(=O)O5)O)NC(=O)N
Structure:
CAS RN: 121573-36-2
CAS Name: (Z)-7-[(1S,2R,3R,5S)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,2R,3R,5S)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,2R,3R,5S)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,2R,3R,5S)-7,7-bis(fluoranyl)-3-[(E,3S)-3-oxidanyloct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H30F2O5
MOLECULAR WEIGHT: 388.446006
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H]2C([C@@H](O1)O2)(F)F)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 121488-61-7
CAS Name: N-[(E)-4-[3-(4-chlorophenoxy)phenyl]but-3-en-2-yl]-N-hydroxyacetamide
OPENEYE Name: N-[(E)-3-[3-(4-chlorophenoxy)phenyl]-1-methyl-allyl]-N-hydroxy-acetamide
IUPAC Name: N-[(E)-4-[3-(4-chlorophenoxy)phenyl]but-3-en-2-yl]-N-hydroxyacetamide
SYSTEMATIC NAME: N-[(E)-4-[3-(4-chloranylphenoxy)phenyl]but-3-en-2-yl]-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C18H18ClNO3
MOLECULAR WEIGHT: 331.79342
SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=C(C=C2)Cl)N(C(=O)C)O
Structure:
CAS RN: 121313-79-9
CAS Name: trisodium [(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
OPENEYE Name: trisodium [(E)-1-[[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]methyl]dec-8-enyl] sulfate
IUPAC Name: trisodium [(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
SYSTEMATIC NAME: trisodium [(E)-1-[(28E)-30-oxidanylidene-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
MOLECULAR FORMULA: C40H71Na3O14S3
MOLECULAR WEIGHT: 941.14765
SMILES: C/C=C/CCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 119400-44-1
CAS Name: (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,9R,10R,13R,17R)-17-[(1R,2E,4R)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methyl-hepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H42O
MOLECULAR WEIGHT: 406.64318
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C
Structure:
CAS RN: 119386-11-7
CAS Name: (3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,9S,10R,13R,14R,17R)-17-[(1R,2E,4R)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methyl-hepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H44O
MOLECULAR WEIGHT: 408.65906
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)C
Structure:
CAS RN: 114654-34-1
CAS Name: 2-[[4-[(1R,2R)-2-[(E)-2-(2-naphthalenyl)ethenyl]cyclopropyl]-1-oxobutyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[4-[(1R,2R)-2-[(E)-2-(2-naphthyl)vinyl]cyclopropyl]butanoylamino]benzoate
IUPAC Name: methyl 2-[4-[(1R,2R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoate
SYSTEMATIC NAME: methyl 2-[4-[(1R,2R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoate
MOLECULAR FORMULA: C27H27NO3
MOLECULAR WEIGHT: 413.50818
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CCC[C@@H]2C[C@H]2/C=C/C3=CC4=CC=CC=C4C=C3
Structure:
No comments:
Post a Comment