Chem
J-GLOBAL ID:200907007935965610   Nikkaji number:J677.914J

(24S)-1α,24-Dihydroxycholecalciferol

(24S)-1α,24-ジ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: C27H44O3
Molecular formula furigana: C27-H44-O3
Molecular weight: 416.646
InChI: InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1
InChI key: BJYLYJCXYAMOFT-SEZLTJOTSA-N
SMILES: CC(C)[C@@H](O)CC[C@@H](C)[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  (3):
  • (24S)-1α,24-ジヒドロキシコレカルシフェロール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5S)-5-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,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (1):
  • (24S)-1α,24-Dihydroxycholecalciferol
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