Chem
J-GLOBAL ID：200907022966332828   Nikkaji number：J1.824.562K

(20S)-1α,25-Dihydroxy-2α-propylcholecalciferol

(20S)-1α,25-ジヒドロキシ-2α-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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-7-10-24-27(31)19-23(21(3)28(24)32)14-13-22-12-9-18-30(6)25(15-16-26(22)30)20(2)11-8-17-29(4,5)33/h13-14,20,24-28,31-33H,3,7-12,15-19H2,1-2,4-6H3/b22-13+,23-14-/t20-,24-,25+,26-,27+,28+,30+/m0/s1
InChI key： GMZWKFJQHMQHAO-KPUYHVLTSA-N
SMILES： CCC[C@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@@H](C)CCCC(C)(C)O)/C(=C)[C@H]1O
Systematic name  (4)：
  • (14S,20S)-1α,25-ジヒドロキシ-2α-プロピルコレカルシフェロール
  • (20S)-1α,25-ジヒドロキシ-2α-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}-4-メチリデン-2-プロピルシクロヘキサン-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}-4-methylidene-2-propylcyclohexane-1,3-diol
Other name (2)：
  • (14S,20S)-1α,25-Dihydroxy-2α-propylcholecalciferol
  • (20S)-1α,25-Dihydroxy-2α-propylcholecalciferol
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