Chem
J-GLOBAL ID：200907045099294691   Nikkaji number：J2.171.742H

(5Z,7E)-2α-Propoxy-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol

(5Z,7E)-2α-プロポキシ-9,10-セココレスタ-5,7,10(19)-トリエン-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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-7-18-34-28-26(31)19-23(21(3)27(28)32)13-12-22-11-9-17-30(6)24(14-15-25(22)30)20(2)10-8-16-29(4,5)33/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b22-12+,23-13-/t20-,24-,25+,26-,27-,28+,30-/m1/s1
InChI key： DSWDAXGEZVIPHP-BRDKTQIRSA-N
SMILES： CCCO[C@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O)/C(=C)[C@H]1O
Systematic name  (3)：
  • (5Z,7E)-2α-プロポキシ-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
  • (1R,2S,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-ヒドロキシ-6-メチルヘプタン-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}-4-メチリデン-2-プロポキシシクロヘキサン-1,3-ジオール
  • (1R,2S,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidene-2-propoxycyclohexane-1,3-diol
Other name (1)：
  • (5Z,7E)-2α-Propoxy-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
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