Chem
J-GLOBAL ID：201507004884476597   Nikkaji number：J3.422.921J

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

(7E,22S)-22-エチル-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
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： C26H42O3
Molecular formula furigana： C26-H42-O3
Molecular weight： 402.619
InChI： InChI=1S/C26H42O3/c1-5-20(12-14-27)17(2)22-10-11-23-21(7-6-13-26(22,23)4)9-8-19-15-24(28)18(3)25(29)16-19/h8-9,17,20,22-25,27-29H,3,5-7,10-16H2,1-2,4H3/b21-9+/t17-,20+,22-,23+,24-,25-,26-/m1/s1
InChI key： MJSNOTROAGEHAK-HSPXBGPKSA-N
SMILES： CC[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  (3)：
  • (7E,22S)-22-エチル-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
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3S)-3-エチル-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-ethyl-5-hydroxypentan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (7E,22S)-22-Ethyl-2-methylene-19,25,26,27,28-pentanor-9,10-secoergosta-5,7-diene-1α,3β,24-triol
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