Chem
J-GLOBAL ID：200907096090506380   Nikkaji number：J525.101J

1,24,25-Trihydroxyvitamin D3

1,24,25-トリヒドロキシビタミンD3
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/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24?,25?,27-/m1/s1
InChI key： WFZKUWGUJVKMHC-ZAXLSTGFSA-N
SMILES： C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)CC(O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • 1,24,25-トリヒドロキシコレカルシフェロール
  • (1R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-5,6-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,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (3)：
  • 1,24,25-トリヒドロキシビタミンD3
  • 1,24,25-Trihydroxyvitamin D3
  • 1,24,25-Trihydroxycholecalciferol
CAS registry number： 50648-94-7
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