Primary Record
Isopenicin A
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 146683135
- SMILES
- CC/C=C/C=C/[C@@]1(C(=O)C(=C(O1)C[C@@H](C)[C@@]2(C(=O)[C@@]3(C(=C[C@@H]4[C@@]([C@@]3(C2=O)C(=O)OC)(CC[C@H]5[C@]4(CC[C@@H](C5(C)C)OC(=O)C)C=O)C)C)C)C)C(=O)OC)C
- Canonical SMILES
- CC/C=C/C=C/[C@@]1(C)OC(C[C@@H](C)[C@]2(C)C(=O)[C@]3(C)C(C)=C[C@H]4[C@]5(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C(=O)OC)C2=O)=C(C(=O)OC)C1=O
Names & Synonyms
- Isopenicin A
- RefChem:149704
- CHEMBL5278189
- CHEBI:209347
- Methyl (5R)-2-((2R)-2-((1R,2S,5S,7R,10S,11R,13R,15R)-5-(acetyloxy)-2-formyl-11-(methoxycarbonyl)-6,6,10,13,15,16-hexamethyl-12,14-dioxotetracyclo(8.7.0.0,.0,)heptadec-16-en-13-yl)propyl)-5-((1E,3E)-hexa-1,3-dien-1-yl)-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylic acid
- methyl (5R)-2-((2R)-2-((3S,5R,8S,9R,10S,13R,14R,16R)-3-acetyloxy-10-formyl-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta(a)phenanthren-16-yl)propyl)-5-((1E,3E)-hexa-1,3-dienyl)-5-methyl-4-oxofuran-3-carboxylate
- Methyl (5R)-2-[(2R)-2-[(1R,2S,5S,7R,10S,11R,13R,15R)-5-(acetyloxy)-2-formyl-11-(methoxycarbonyl)-6,6,10,13,15,16-hexamethyl-12,14-dioxotetracyclo[8.7.0.0,.0,]heptadec-16-en-13-yl]propyl]-5-[(1E,3E)-hexa-1,3-dien-1-yl]-5-methyl-4-oxo-4,5-dihydrofuran-3-carboxylic acid
- methyl (5R)-2-[(2R)-2-[(3S,5R,8S,9R,10S,13R,14R,16R)-3-acetyloxy-10-formyl-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthren-16-yl]propyl]-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxofuran-3-carboxylate
- methyl (5R)-2-[(2R)-2-[(3S,5R,8S,9R,10S,13R,14R,16R)-3-acetyloxy-10-ormyl-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthren-16-yl]propyl]-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxouran-3-carboxylate