Chem
J-GLOBAL ID：200907098668467300   Nikkaji number：J1.506.145F

(25S)-1α,25,26-Trihydroxycholecalciferol

(25S)-1α,25,26-トリヒドロキシ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： C27H44O4
Molecular formula furigana： C27-H44-O4
Molecular weight： 432.645
InChI： InChI=1S/C27H44O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h9-10,18,22-25,28-31H,2,5-8,11-17H2,1,3-4H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1
InChI key： LUMQIGNPUDCMLN-SEZLTJOTSA-N
SMILES： C[C@H](CCC[C@](C)(O)CO)[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)：
  • (25S)-1α,25,26-トリヒドロキシコレカルシフェロール
  • (5Z,7E,25S)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25,26-テトラオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,6S)-6,7-ジヒドロキシ-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-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,6S)-6,7-dihydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (25S)-1α,25,26-Trihydroxycholecalciferol
  • (5Z,7E,25S)-9,10-Secocholesta-5,7,10(19)-triene-1α,3β,25,26-tetraol
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