Chem
J-GLOBAL ID：200907008808367000   Nikkaji number：J19.593F

Polhovolide

ポルホボリド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H32O8
Molecular formula furigana： C23-H32-O8
Molecular weight： 436.501
InChI： InChI=1S/C23H32O8/c1-11(2)20(26)28-16-10-22(6,30-13(4)24)15-9-8-12(3)17(15)19-18(16)23(7,21(27)29-19)31-14(5)25/h8,11,15-19H,9-10H2,1-7H3/t15-,16-,17+,18+,19-,22-,23-/m0/s1
InChI key： YNZANXMCWKBMJS-OEQVYJHJSA-N
SMILES： CC(C)C(=O)O[C@H]1C[C@](C)(OC(=O)C)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C)[C@H]12
Systematic name  (3)：
  • 2-メチルプロパン酸[(3S)-3β,6α-ジアセトキシ-2,3,3aβ,4,5,6,6aα,7,9aα,9bβ-デカヒドロ-3,6,9-トリメチル-2-オキソアズレノ[4,5-b]フラン-4β-イル]
  • (3S,3aR,4S,6S,6aS,9aS,9bS)-3,6-ビス(アセチルオキシ)-3,6,9-トリメチル-2-オキソ-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-アズレノ[4,5-b]フラン-4-イル 2-メチルプロパノアート
  • (3S,3aR,4S,6S,6aS,9aS,9bS)-3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
Other name (3)：
  • ポルホボリド
  • Polhovolide
  • 2-Methylpropanoic acid [(3S)-3β,6α-diacetoxy-2,3,3aβ,4,5,6,6aα,7,9aα,9bβ-decahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-4β-yl] ester
CAS registry number： 68799-88-2
KEGG COMPOUND： C09532
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