CAS RN: 53995-45-2
CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-[3-(1-pyrrolidinyl)propyl]-1,3,4-oxadiazinan-5-one
OPENEYE Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one
IUPAC Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one
SYSTEMATIC NAME: (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: C1CCN(C1)CCCN2C(=O)CO/C(=C/3\C=CC=CC3=O)/N2
Structure:
CAS RN: 66892-06-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H53N3O11S
MOLECULAR WEIGHT: 795.93802
SMILES: CCCNC1=NC2=C(S1)C3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N3)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Structure:
CAS RN: 66891-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H51N3O11S
MOLECULAR WEIGHT: 793.92214
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC(=N5)NCC=C)O)/C
Structure:
CAS RN: 66781-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H55N3O11
MOLECULAR WEIGHT: 825.9424
SMILES: CC1/C=C/C=C(\C(=O)NC2=C3C(=NC(N3C4=CC=CC=C4)(C)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)/C
Structure:
CAS RN: 66892-00-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H47N3O11S
MOLECULAR WEIGHT: 753.85828
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC(=N5)N)O)/C
Structure:
CAS RN: 57375-25-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44BrNO12
MOLECULAR WEIGHT: 774.64876
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)Br)/C
Structure:
CAS RN: 62796-37-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H47N3O11
MOLECULAR WEIGHT: 721.79328
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2NC=N5)O)/C
Structure:
CAS RN: 62295-74-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H60N4O11
MOLECULAR WEIGHT: 881.0209
SMILES: CC1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC5=CC=CC=C5)C6=C7C(=C(C(=C6C2=O)O)C)OC(C7=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)/C
Structure:
CAS RN: 62295-71-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H56N4O11
MOLECULAR WEIGHT: 804.92494
SMILES: CC1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)/C
Structure:
CAS RN: 79855-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H51N3O11
MOLECULAR WEIGHT: 797.88924
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2NC(=N5)C6=CC=CC=C6)O)/C
Structure:
CAS RN: 71899-58-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: C[C@@]12C[C@@H](C3[C@@]4(C(CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)C(O[C@]4(C)O)(C)C)C)O
Structure:
CAS RN: 66922-25-6
CAS Name: (2S)-2-methylbutanoic acid [(3aR,4R,5Z,7S,9S,10Z)-9-acetyloxy-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,5Z,7S,9S,10Z)-9-acetoxy-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate
IUPAC Name: [(3aR,4R,5Z,7S,9S,10Z)-9-acetyloxy-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate
SYSTEMATIC NAME: [(3aR,4R,5Z,7S,9S,10Z)-9-acetyloxy-10-(hydroxymethyl)-6-methyl-3-methylidene-7-oxidanyl-2-oxidanylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S)-2-methylbutanoate
MOLECULAR FORMULA: C22H30O8
MOLECULAR WEIGHT: 422.4688
SMILES: CC[C@H](C)C(=O)O[C@@H]1/C=C(\[C@H](C[C@@H](/C(=C\C2[C@@H]1C(=C)C(=O)O2)/CO)OC(=O)C)O)/C
Structure:
CAS RN: 63492-69-3
CAS Name: (2E)-2-[4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclohex-2-enylidene]acetonitrile
OPENEYE Name: (2E)-2-[4,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohex-2-en-1-ylidene]acetonitrile
IUPAC Name: (2E)-2-[4,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
SYSTEMATIC NAME: (2E)-2-[6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)cyclohex-2-en-1-ylidene]ethanenitrile
MOLECULAR FORMULA: C14H19NO8
MOLECULAR WEIGHT: 329.30256
SMILES: C1=C/C(=C\C#N)/C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 78146-51-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)C3[C@@H](C[C@H]1O)C(=C)C(=O)O3)C
Structure:
CAS RN: 59865-13-3
CAS Name: 30-ethyl-33-[(E,1S,2S)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
OPENEYE Name: 30-ethyl-33-[(E,1S,2S)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name: 30-ethyl-33-[(E,1S,2S)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SYSTEMATIC NAME: 30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1S,2S)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
MOLECULAR FORMULA: C62H111N11O12
MOLECULAR WEIGHT: 1202.61124
SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)[C@H]([C@@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 70447-95-9
CAS Name: (2R,4bS,10S)-4b,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene-2,10-diol
OPENEYE Name: (2R,4bS,10S)-2-isopropyl-4b,8,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene-2,10-diol
IUPAC Name: (2R,4bS,10S)-4b,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene-2,10-diol
SYSTEMATIC NAME: (2R,4bS,10S)-4b,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthrene-2,10-diol
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CC(C)[C@]1(CCC2=C(C1)[C@H](CC3[C@@]2(CCCC3(C)C)C)O)O
Structure:
CAS RN: 38451-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O8
MOLECULAR WEIGHT: 448.50608
SMILES: COC1=C[C@]2([C@H](C3C(=CC2(C(=O)C3(OC)OC)OC)CC=C)C(C1=O)(OC)OC)CC=C
Structure:
CAS RN: 31842-61-2
CAS Name: 4-[hydroxy(2-piperidinyl)methyl]benzene-1,2-diol hydrobromide
OPENEYE Name: 4-[hydroxy(2-piperidyl)methyl]benzene-1,2-diol hydrobromide
IUPAC Name: 4-[hydroxy(piperidin-2-yl)methyl]benzene-1,2-diol hydrobromide
SYSTEMATIC NAME: 4-[oxidanyl(piperidin-2-yl)methyl]benzene-1,2-diol hydrobromide
MOLECULAR FORMULA: C12H18BrNO3
MOLECULAR WEIGHT: 304.18022
SMILES: C1CCNC(C1)C(C2=CC(=C(C=C2)O)O)O.Br
Structure:
CAS RN: 54980-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H32O11
MOLECULAR WEIGHT: 544.54708
SMILES: C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@@](O5)([C@@H]7C[C@H]([C@]8(CC=CC(=O)[C@@]8([C@H]7CCC6(C(=O)O4)O)C)O)O)OC[C@H]2C(=O)O3)C
Structure:
CAS RN: 23133-56-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H30O9
MOLECULAR WEIGHT: 510.5324
SMILES: C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@@](O5)([C@@H]7CC=C8CC=CC(=O)[C@@]8([C@H]7CCC6(C(=O)O4)O)C)OC[C@H]2C(=O)O3)C
Structure:
CAS RN: 65669-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O
Structure:
CAS RN: 56326-25-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C/C/1=C/CCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C
Structure:
CAS RN: 61601-55-6
CAS Name: 3-[3-[[3-[[4,5-dihydroxy-6-methyl-3-[(E)-1-oxodec-2-enoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-1-oxodecoxy]decanoic acid
OPENEYE Name: 3-[3-[3-[3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxydecanoyloxy]decanoic acid
IUPAC Name: 3-[3-[3-[3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
SYSTEMATIC NAME: 3-[3-[3-[3-[(E)-dec-2-enoyl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxydecanoyloxy]decanoic acid
MOLECULAR FORMULA: C42H74O14
MOLECULAR WEIGHT: 803.02856
SMILES: CCCCCCC/C=C/C(=O)OC1C(C(C(OC1OC2C(C(C(OC2OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O)C)O)O)C)O)O
Structure:
CAS RN: 65388-18-3
CAS Name: 2-methyl-2-propenoic acid [(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
IUPAC Name: [(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6E,8S,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C\[C@H](C1)O)/CO)OC(=O)C(=C)C)C(=C)C(=O)O2
Structure:
CAS RN: 57103-53-4
CAS Name: 2-hydroxy-3-[(2-hydroxy-5,6-dimethyl-4-oxo-3-pyranyl)methyl]-5,6-dimethyl-4-pyranone
OPENEYE Name: 2-hydroxy-3-[(2-hydroxy-5,6-dimethyl-4-oxo-pyran-3-yl)methyl]-5,6-dimethyl-pyran-4-one
IUPAC Name: 2-hydroxy-3-[(2-hydroxy-5,6-dimethyl-4-oxopyran-3-yl)methyl]-5,6-dimethylpyran-4-one
SYSTEMATIC NAME: 5-[(5,6-dimethyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)methyl]-2,3-dimethyl-6-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C15H16O6
MOLECULAR WEIGHT: 292.28394
SMILES: CC1=C(OC(=C(C1=O)CC2=C(OC(=C(C2=O)C)C)O)O)C
Structure:
CAS RN: 63783-94-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O11
MOLECULAR WEIGHT: 562.60542
SMILES: CC1=C[C@@H]2[C@@]3(C[C@H]1O)COC(=O)[C@@H]4[C@](O4)([C@@H](CO[C@H](/C=C/C=C\C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@@H](C)O)O)C
Structure:
CAS RN: 71748-64-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H40O10
MOLECULAR WEIGHT: 548.6219
SMILES: CC1CC(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@]45CO5)C)OC(=O)/C=C\C=C\[C@H](OCC1O)[C@@H](C)O)C)O
Structure:
CAS RN: 12677-11-1
CAS Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[[4-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-8,9-dihydroxy-2-[[5-hydroxy-4-[[5-hydroxy-4-[(4-hydroxy-5-methoxy-6-methyl-2-oxanyl)oxy]-6-methyl-2-oxanyl]oxy]-6-meth
OPENEYE Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-6-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8,9-dihydroxy-2-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-
IUPAC Name: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-2-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-
SYSTEMATIC NAME: (2S,3S)-3-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-pentyl]-2-[4-[4-(5-methoxy-6-methyl-4-oxidanyl-oxan-2-yl)oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-methyl-6-[6-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]
MOLECULAR FORMULA: C52H76O24
MOLECULAR WEIGHT: 1085.14544
SMILES: CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O
Structure:
CAS RN: 70993-77-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O11
MOLECULAR WEIGHT: 534.55226
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]34COC(C3[C@@]5(C1C(=CC(=O)[C@H]5O)C)C)([C@@H]([C@@H](C4[C@H](C(=O)O2)OC(=O)C)C)O)O
Structure:
CAS RN: 64726-84-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O8
MOLECULAR WEIGHT: 514.60722
SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@H](C)O)\C
Structure:
CAS RN: 26620-65-5
CAS Name: (E)-2-methyl-2-butenoic acid (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) ester
OPENEYE Name: (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) (E)-2-methylbut-2-enoate
IUPAC Name: (4-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [1,5,8a-trimethyl-4-oxidanyl-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(\C)/C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C
Structure:
CAS RN: 50722-38-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22O7
MOLECULAR WEIGHT: 338.35238
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO
Structure:
CAS RN: 76634-99-6
CAS Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]dodecanamide
OPENEYE Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]dodecanamide
IUPAC Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]dodecanamide
SYSTEMATIC NAME: N-[6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]dodecanamide
MOLECULAR FORMULA: C39H51NO12
MOLECULAR WEIGHT: 725.82174
SMILES: CCCCCCCCCCCC(=O)NC1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O
Structure:
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