Chem
J-GLOBAL ID：201507011210935363   Nikkaji number：J3.422.922H

(7E,22S)-22-Hexyl-2-methylene-19,25,26,27,28-pentanor-9,10-secoergosta-5,7-diene-1α,3β,24-triol

(7E,22S)-2-メチレン-22-ヘキシル-1α,3β,24-トリヒドロキシ-19,25,26,27-テトラノル-9,10-セココレスタ-5,7-ジエン
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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-5-6-7-8-10-24(16-18-31)21(2)26-14-15-27-25(11-9-17-30(26,27)4)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,31-33H,3,5-11,14-20H2,1-2,4H3/b25-13+/t21-,24+,26-,27+,28-,29-,30-/m1/s1
InChI key： JUQILRKVRIIJNO-FJOOTJEJSA-N
SMILES： CCCCCC[C@@H](CCO)[C@@H](C)[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  (4)：
  • (7E,22S)-22-ヘキシル-2-メチレン-19,25,26,27,28-ペンタノル-9,10-セコエルゴスタ-5,7-ジエン-1α,3β,24-トリオール
  • (7E,22S)-2-メチレン-22-ヘキシル-1α,3β,24-トリヒドロキシ-19,25,26,27-テトラノル-9,10-セココレスタ-5,7-ジエン
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3S)-3-ヘキシル-5-ヒドロキシペンタン-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}-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,3S)-3-hexyl-5-hydroxypentan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (7E,22S)-22-Hexyl-2-methylene-19,25,26,27,28-pentanor-9,10-secoergosta-5,7-diene-1α,3β,24-triol
  • (7E,22S)-2-Methylene-22-hexyl-1α,3β,24-trihydroxy-19,25,26,27-tetranor-9,10-secocholesta-5,7-diene
Thsaurus map：
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