Chem
J-GLOBAL ID：200907010315503227   Nikkaji number：J490.503B

(5Z,7E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10(19),22-tetraene-1α,3β,24-triol

(5Z,7E,24S)-26,27-シクロ-9,10-セココレスタ-5,7,10(19),22-テトラエン-1α,3β,24-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： C27H40O3
Molecular formula furigana： C27-H40-O3
Molecular weight： 412.614
InChI： InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6?,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
InChI key： LWQQLNNNIPYSNX-WVGDBXABSA-N
SMILES： C[C@H](C=C[C@@H](O)C1CC1)[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  (4)：
  • (5Z,7E,24S)-9,10-セコ-26,27-シクロコレスタ-5,7,10(19),22-テトラエン-1α,3β,24-トリオール
  • (5Z,7E,24S)-26,27-シクロ-9,10-セココレスタ-5,7,10(19),22-テトラエン-1α,3β,24-トリオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5S)-5-シクロプロピル-5-ヒドロキシペンタ-3-エン-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,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (5Z,7E,24S)-9,10-Seco-26,27-cyclocholesta-5,7,10(19),22-tetraene-1α,3β,24-triol
  • (5Z,7E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10(19),22-tetraene-1α,3β,24-triol
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