Chem
J-GLOBAL ID：200907082849712256   Nikkaji number：J1.824.447K

(7E)-1α,3β,25-Trihydroxy-19-nor-9,10-secocholesta-5,7-diene-2β-ethanol

(14S)-1α,25-ジヒドロキシ-2α-(2-ヒドロキシエチル)-10-デメチレンコレカルシフェロール
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： C28H48O4
Molecular formula furigana： C28-H48-O4
Molecular weight： 448.688
InChI： InChI=1S/C28H48O4/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,19,22-26,29-32H,5-8,11-18H2,1-4H3/b20-9-,21-10+/t19-,22?,23-,24+,25-,26-,28-/m1/s1
InChI key： KNCYLHLKNVBRAU-JFIPTYRGSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(CCO)[C@H](O)C3)/CCC[C@]12C
Systematic name  (4)：
  • (14S)-1α,25-ジヒドロキシ-2α-(2-ヒドロキシエチル)-10-デメチレンコレカルシフェロール
  • (7E)-1α,3β,25-トリヒドロキシ-19-ノル-9,10-セココレスタ-5,7-ジエン-2β-エタノール
  • (1R,3R)-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}-2-(2-ヒドロキシエチル)シクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-(2-hydroxyethyl)cyclohexane-1,3-diol
Other name (2)：
  • (14S)-1α,25-Dihydroxy-2α-(2-hydroxyethyl)-10-demethylenecholecalciferol
  • (7E)-1α,3β,25-Trihydroxy-19-nor-9,10-secocholesta-5,7-diene-2β-ethanol
Thsaurus map：
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