Chem
J-GLOBAL ID:200907051723142893   Nikkaji number:J1.280.896H

NeocaesalpinC

ネオカエサルピンC
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: C24H34O9
Molecular formula furigana: C24-H34-O9
Molecular weight: 466.527
InChI: InChI=1S/C24H34O9/c1-11-14-7-18(28)33-23(14,29)8-15-19(11)16(27)9-24(30)21(4,5)10-17(31-12(2)25)20(22(15,24)6)32-13(3)26/h7,11,15-17,19-20,27,29-30H,8-10H2,1-6H3/t11-,15-,16+,17-,19-,20-,22-,23+,24+/m0/s1
InChI key: GCGCZEGAELXNPM-ARQDEIRUSA-N
SMILES: C[C@@H]1[C@@H]2[C@H](O)C[C@@]3(O)C(C)(C)C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@]3(C)[C@H]2C[C@@]2(O)OC(=O)C=C12
Systematic name  (3):
  • (1R)-1,2,3,4,4aβ,5,6,6aα,7,9,10a,11,11aβ,11b-テトラデカヒドロ-1β,2β-ジアセトキシ-4aβ,6β,10aβ-トリヒドロキシ-4,4,7β,11bα-テトラメチルフェナントロ[3,2-b]フラン-9-オン
  • (1R,2S,4aR,6R,6aS,7R,10aR,11aS,11bS)-1-(アセチルオキシ)-4a,6,10a-トリヒドロキシ-4,4,7,11b-テトラメチル-9-オキソ-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,9H,10aH,11H,11aH,11bH-フェナントロ[3,2-b]フラン-2-イル アセタート
  • (1R,2S,4aR,6R,6aS,7R,10aR,11aS,11bS)-1-(acetyloxy)-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,9H,10aH,11H,11aH,11bH-phenanthro[3,2-b]furan-2-yl acetate
Other name (3):
  • (1R)-1,2,3,4,4aβ,5,6,6aα,7,9,10a,11,11aβ,11b-Tetradecahydro-1β,2β-diacetoxy-4aβ,6β,10aβ-trihydroxy-4,4,7β,11bα-tetramethylphenanthro[3,2-b]furan-9-one
  • NeocaesalpinC
  • ネオカエサルピンC
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