Chem
J-GLOBAL ID：200907015624046134   Nikkaji number：J1.824.564G

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

(20S)-1α,25-ジヒドロキシ-2α-(2-ヒドロキシエチル)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： C29H48O4
Molecular formula furigana： C29-H48-O4
Molecular weight： 460.699
InChI： InChI=1S/C29H48O4/c1-19(8-6-15-28(3,4)33)24-12-13-25-21(9-7-16-29(24,25)5)10-11-22-18-26(31)23(14-17-30)27(32)20(22)2/h10-11,19,23-27,30-33H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26+,27+,29+/m0/s1
InChI key： CZCUPLUKLONVFF-JCHFNWTNSA-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](CCO)[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (4)：
  • (14S,20S)-1α,25-ジヒドロキシ-2α-(2-ヒドロキシエチル)コレカルシフェロール
  • (20S)-1α,25-ジヒドロキシ-2α-(2-ヒドロキシエチル)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-(2-ヒドロキシエチル)-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-(2-hydroxyethyl)-4-methylidenecyclohexane-1,3-diol
Other name (2)：
  • (14S,20S)-1α,25-Dihydroxy-2α-(2-hydroxyethyl)cholecalciferol
  • (20S)-1α,25-Dihydroxy-2α-(2-hydroxyethyl)cholecalciferol
Thsaurus map：
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