Chem
J-GLOBAL ID：200907077870164532   Nikkaji number：J2.213.008K

1,25-Dihydroxy-21-(3-methyl-3-hydroxybutyl)cholecalciferol

1,25-ジヒドロキシ-21-(3-メチル-3-ヒドロキシブチル)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： C32H54O4
Molecular formula furigana： C32-H54-O4
Molecular weight： 502.780
InChI： InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28+,29?,32-/m1/s1
InChI key： WTQXZYVWLNPNEX-CYOKXJFTSA-N
SMILES： CC(C)(O)CCCC(CCCC(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  (4)：
  • 1,25-ジヒドロキシ-21-(3-メチル-3-ヒドロキシブチル)コレカルシフェロール
  • (3R)-1,25-ジヒドロキシ-21-(3-メチル-3-ヒドロキシブチル)コレカルシフェロール
  • (1R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-(2,10-ジヒドロキシ-2,10-ジメチルウンデカン-6-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-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • 1,25-Dihydroxy-21-(3-methyl-3-hydroxybutyl)cholecalciferol
  • (3R)-1,25-Dihydroxy-21-(3-methyl-3-hydroxybutyl)cholecalciferol
Thsaurus map：
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