Chem
J-GLOBAL ID:200907002124503810   Nikkaji number:J522.060B

(5Z,7E)-24-Methylsulfonyl-9,10-secochola-5,7,10(19)-triene-1α,3β-diol

(5Z,7E)-24-メチルスルホニル-9,10-セココラ-5,7,10(19)-トリエン-1α,3β-ジオール
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: C25H40O4S
Molecular formula furigana: C25-H40-O4-S
Molecular weight: 436.650
InChI: InChI=1S/C25H40O4S/c1-17(7-6-14-30(4,28)29)22-11-12-23-19(8-5-13-25(22,23)3)9-10-20-15-21(26)16-24(27)18(20)2/h9-10,17,21-24,26-27H,2,5-8,11-16H2,1,3-4H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-/m1/s1
InChI key: IRUYUHAKUCMYEC-COOBJOAZSA-N
SMILES: C[C@H](CCCS(=O)(=O)C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3):
  • (5Z,7E)-24-メチルスルホニル-9,10-セココラ-5,7,10(19)-トリエン-1α,3β-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-5-メタンスルホニルペンタン-2-イル]-7a-メチル-オクタヒドロ-1H-インデン-4-イリデン]エチリデン}-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-5-methanesulfonylpentan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1):
  • (5Z,7E)-24-Methylsulfonyl-9,10-secochola-5,7,10(19)-triene-1α,3β-diol
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