Chem
J-GLOBAL ID：201707011359396028   Nikkaji number：J3.564.593D

(7E)-10-Demethyl-26,27-diphenyl-2-methylene-9,10-secocholestane-5,7-diene-1α,3β,25-triol

(7E)-10-デメチル-26,27-ジフェニル-2-メチレン-9,10-セココレスタン-5,7-ジエン-1α,3β,25-トリオール
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： C39H52O3
Molecular formula furigana： C39-H52-O3
Molecular weight： 568.842
InChI： InChI=1S/C39H52O3/c1-28(12-10-23-39(42,26-30-13-6-4-7-14-30)27-31-15-8-5-9-16-31)34-20-21-35-33(17-11-22-38(34,35)3)19-18-32-24-36(40)29(2)37(41)25-32/h4-9,13-16,18-19,28,34-37,40-42H,2,10-12,17,20-27H2,1,3H3/b33-19+/t28-,34-,35+,36-,37-,38-/m1/s1
InChI key： RRDOSUMZWOEOPZ-BYWDIONYSA-N
SMILES： C[C@H](CCCC(O)(Cc1ccccc1)Cc1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(=C)[C@H](O)C3)/CCC[C@]12C
Systematic name  (3)：
  • (7E)-10-デメチル-26,27-ジフェニル-2-メチレン-9,10-セココレスタン-5,7-ジエン-1α,3β,25-トリオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ベンジル-6-ヒドロキシ-7-フェニルヘプタン-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}-2-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-benzyl-6-hydroxy-7-phenylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (7E)-10-Demethyl-26,27-diphenyl-2-methylene-9,10-secocholestane-5,7-diene-1α,3β,25-triol
Thsaurus map：
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