CAS RN: 91452-89-0
CAS Name: (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylidene-2-oxolanyl]-2-methyl-1-oxoprop-2-enoxy]-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylidenetetrahydrofuran-2-yl]-2-methyl-prop-2-enoyl]oxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methyl-prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C40H60O6
MOLECULAR WEIGHT: 636.9008
SMILES: C/C=C\1/CC(OC1)/C=C(\C)/C(=O)O[C@H]2C[C@@]3(CC[C@@]4(C(=CC[C@H]5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O)C)C)[C@H]3CC2(C)C)C)C(=O)O
Structure:
CAS RN: 57194-70-4
CAS Name: (1R,4E,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
OPENEYE Name: (1R,4E,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
IUPAC Name: (1R,4E,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
SYSTEMATIC NAME: (1R,4E,6R,7R,11Z)-4-ethylidene-6,7,14-trimethyl-7-oxidanyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
MOLECULAR FORMULA: C19H27NO6
MOLECULAR WEIGHT: 365.42078
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
Structure:
CAS RN: 11081-19-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C/C=C(\C)/C(=O)OC1/C=C(/CCC2C(O2)(CC3C1C(=C)C(=O)O3)C)\C
Structure:
CAS RN: 57138-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C/C=C(\C)/C(=O)OC1/C=C(/CCC2C(O2)(CC3C1C(=C)C(=O)O3)C)\C
Structure:
CAS RN: 69865-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: C/C=C(\C)/C(=O)OC1/C=C(/CCC2C(O2)(CC3C1C(=C)C(=O)O3)C)\C
Structure:
CAS RN: 56816-21-8
CAS Name: (E,4E)-4-[cyano-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methylidene]-2-hexenedioic acid
OPENEYE Name: (E,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-methylene]hex-2-enedioic acid
IUPAC Name: (E,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
SYSTEMATIC NAME: (E,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-methylidene]hex-2-enedioic acid
MOLECULAR FORMULA: C14H17NO10
MOLECULAR WEIGHT: 359.28548
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O/C(=C(\CC(=O)O)/C=C/C(=O)O)/C#N)O)O)O)O
Structure:
CAS RN: 56799-51-0
CAS Name: (3Z,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylene-2-oxolanone
OPENEYE Name: (3Z,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylene-tetrahydrofuran-2-one
IUPAC Name: (3Z,4S)-3-dodec-11-enylidene-4-hydroxy-5-methylideneoxolan-2-one
SYSTEMATIC NAME: (3Z,4S)-3-dodec-11-enylidene-5-methylidene-4-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: C=CCCCCCCCCC/C=C\1/[C@@H](C(=C)OC1=O)O
Structure:
CAS RN: 56614-74-5
CAS Name: (E)-4-[(2R,3S,4S,5R,6R)-6-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)ethenyl]-3,4,5,6-tetrahydroxy-2-oxanyl]-3-(3,4-dihydroxyphenyl)-4-hydroxy-2-butenoic acid
OPENEYE Name: (E)-4-[(2R,3S,4S,5R,6R)-6-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)vinyl]-3,4,5,6-tetrahydroxy-tetrahydropyran-2-yl]-3-(3,4-dihydroxyphenyl)-4-hydroxy-but-2-enoic acid
IUPAC Name: (E)-4-[(2R,3S,4S,5R,6R)-6-[(E)-2-carboxy-1-(3,4-dihydroxyphenyl)ethenyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-3-(3,4-dihydroxyphenyl)-4-hydroxybut-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]-4-[(2R,3S,4S,5R,6R)-6-[(E)-1-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]-4-oxidanyl-but-2-enoic acid
MOLECULAR FORMULA: C24H24O14
MOLECULAR WEIGHT: 536.43896
SMILES: C1=CC(=C(C=C1/C(=C\C(=O)O)/C([C@@H]2[C@H]([C@@H]([C@H]([C@](O2)(/C(=C/C(=O)O)/C3=CC(=C(C=C3)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 56522-16-8
CAS Name: (3E,4S)-4-hydroxy-5-methylene-3-tetradecylidene-2-oxolanone
OPENEYE Name: (3E,4S)-4-hydroxy-5-methylene-3-tetradecylidene-tetrahydrofuran-2-one
IUPAC Name: (3E,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
SYSTEMATIC NAME: (3E,4S)-5-methylidene-4-oxidanyl-3-tetradecylidene-oxolan-2-one
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CCCCCCCCCCCCC/C=C/1\[C@@H](C(=C)OC1=O)O
Structure:
CAS RN: 56522-15-7
CAS Name: (3Z,4S)-4-hydroxy-5-methylene-3-tetradecylidene-2-oxolanone
OPENEYE Name: (3Z,4S)-4-hydroxy-5-methylene-3-tetradecylidene-tetrahydrofuran-2-one
IUPAC Name: (3Z,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
SYSTEMATIC NAME: (3Z,4S)-5-methylidene-4-oxidanyl-3-tetradecylidene-oxolan-2-one
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CCCCCCCCCCCCC/C=C\1/[C@@H](C(=C)OC1=O)O
Structure:
CAS RN: 51798-81-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H58O10
MOLECULAR WEIGHT: 686.87182
SMILES: CCCCC(C)C(=O)OC1[C@@H]([C@H](O[C@]2([C@@H]1O)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)C)C
Structure:
CAS RN: 56197-05-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H58O10
MOLECULAR WEIGHT: 686.87182
SMILES: CCCCC(C)C(=O)OC1[C@@H]([C@H](O[C@]2([C@@H]1O)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)C)C
Structure:
CAS RN: 56265-07-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H58O10
MOLECULAR WEIGHT: 686.87182
SMILES: CCCCC(C)C(=O)OC1[C@@H]([C@H](O[C@]2([C@@H]1O)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)C)C
Structure:
CAS RN: 55821-52-8
CAS Name: (5E,8E,10E,12S,14E)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid
OPENEYE Name: (5E,8E,10E,12S,14E)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
IUPAC Name: (5E,8E,10E,12S,14E)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,10E,12S,14E)-12-oxidanylicosa-5,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 55511-08-5
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)/C=C/C3=CC=C(C=C3)O
Structure:
CAS RN: 90778-77-1
CAS Name: 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]amino]butanoic acid
OPENEYE Name: 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid
IUPAC Name: 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid
SYSTEMATIC NAME: 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid
MOLECULAR FORMULA: C16H17NO5
MOLECULAR WEIGHT: 303.30988
SMILES: CCC(C(=O)O)NC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 129277-03-8
CAS Name: (E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-buten-2-one
OPENEYE Name: (E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one
IUPAC Name: (E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
SYSTEMATIC NAME: (E)-4-[(1S,4S,6R)-2,2,6-trimethyl-1,4-bis(oxidanyl)cyclohexyl]but-3-en-2-one
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: C[C@@H]1C[C@@H](CC([C@]1(/C=C/C(=O)C)O)(C)C)O
Structure:
CAS RN: 129050-92-6
CAS Name: 2-[(E)-pent-3-en-1-ynyl]-5-thiophen-2-ylthiophene
OPENEYE Name: 2-[(E)-pent-3-en-1-ynyl]-5-(2-thienyl)thiophene
IUPAC Name: 2-[(E)-pent-3-en-1-ynyl]-5-thiophen-2-ylthiophene
SYSTEMATIC NAME: 2-[(E)-pent-3-en-1-ynyl]-5-thiophen-2-yl-thiophene
MOLECULAR FORMULA: C13H10S2
MOLECULAR WEIGHT: 230.3485
SMILES: C/C=C/C#CC1=CC=C(S1)C2=CC=CS2
Structure:
CAS RN: 126617-61-6
CAS Name: (3Z,5S)-9-hydroxy-4-(4-hydroxyphenyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6-dihydro-1-benzoxocin-2-one
OPENEYE Name: (3Z,5S)-9-hydroxy-4-(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
IUPAC Name: (3Z,5S)-9-hydroxy-4-(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
SYSTEMATIC NAME: (3Z,5S)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-(4-hydroxyphenyl)-9-oxidanyl-5,6-dihydro-1-benzoxocin-2-one
MOLECULAR FORMULA: C23H24O10
MOLECULAR WEIGHT: 460.43066
SMILES: C1[C@@H](/C(=C\C(=O)OC2=C1C=CC(=C2)O)/C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
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