Chem
J-GLOBAL ID：200907016280976311   Nikkaji number：J1.824.565E

(20S)-1α,25-Dihydroxy-2α-(3-hydroxypropyl)cholecalciferol

(20S)-1α,25-ジヒドロキシ-2α-(3-ヒドロキシプロピル)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： C30H50O4
Molecular formula furigana： C30-H50-O4
Molecular weight： 474.726
InChI： InChI=1S/C30H50O4/c1-20(9-6-16-29(3,4)34)25-14-15-26-22(10-7-17-30(25,26)5)12-13-23-19-27(32)24(11-8-18-31)28(33)21(23)2/h12-13,20,24-28,31-34H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24-,25+,26-,27+,28+,30+/m0/s1
InChI key： QOVWEUHJARWCDV-RYBIVYSXSA-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@H](CCCO)[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (4)：
  • (14S,20S)-1α,25-ジヒドロキシ-2α-(3-ヒドロキシプロピル)コレカルシフェロール
  • (20S)-1α,25-ジヒドロキシ-2α-(3-ヒドロキシプロピル)コレカルシフェロール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-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-(3-ヒドロキシプロピル)-4-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-(3-hydroxypropyl)-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (14S,20S)-1α,25-Dihydroxy-2α-(3-hydroxypropyl)cholecalciferol
  • (20S)-1α,25-Dihydroxy-2α-(3-hydroxypropyl)cholecalciferol
Thsaurus map：
Thesaurus Map

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