Chem
J-GLOBAL ID：200907039643089428   Nikkaji number：J2.025.374F

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

(20S)-1α,25-ジヒドロキシ-2α-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： C31H52O3
Molecular formula furigana： C31-H52-O3
Molecular weight： 472.754
InChI： InChI=1S/C31H52O3/c1-7-8-13-25-28(32)20-24(22(3)29(25)33)15-14-23-12-10-19-31(6)26(16-17-27(23)31)21(2)11-9-18-30(4,5)34/h14-15,21,25-29,32-34H,3,7-13,16-20H2,1-2,4-6H3/b23-14+,24-15-/t21-,25-,26+,27-,28+,29+,31+/m0/s1
InChI key： ADZONBROLVQJSC-LKMBOLLMSA-N
SMILES： CCCC[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  (3)：
  • (20S)-1α,25-ジヒドロキシ-2α-ブ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-ブチル-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-butyl-4-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (20S)-1α,25-Dihydroxy-2α-butylcholecalciferol
Thsaurus map：
Thesaurus Map

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