Chem
J-GLOBAL ID：200907001896045721
Nikkaji number：J1.266.016B
1α,25-Dihydroxy-2α-(4-hydroxybutyl)cholecalciferol
1α,25-ジヒドロキシ-2α-(4-ヒドロキシブチル)コレカルシフェロール
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
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
Molecular formula： C31H52O4
Molecular formula furigana： C31-H52-O4
Molecular weight： 488.753
InChI：
InChI=1S/C31H52O4/c1-21(10-8-17-30(3,4)35)26-15-16-27-23(11-9-18-31(26,27)5)13-14-24-20-28(33)25(12-6-7-19-32)29(34)22(24)2/h13-14,21,25-29,32-35H,2,6-12,15-20H2,1,3-5H3/b23-13+,24-14-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
InChI key：
BCDZYLNIANLXGJ-COENUSHESA-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](CCCCO)[C@H](O)C3=C)/CCC[C@]12C
Systematic name (5)：
- 2α-(4-ヒドロキシブチル)-1α,25-ジヒドロキシコレカルシフェロール
- 1α,25-ジヒドロキシ-2α-(4-ヒドロキシブチル)コレカルシフェロール
- (5Z,7E)-2α-(4-ヒドロキシブチル)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
- (1R,2S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-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-(4-ヒドロキシブチル)-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-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-(4-hydroxybutyl)-4-methylidenecyclohexane-1,3-diol
- 2α-(4-Hydroxybutyl)-1α,25-dihydroxycholecalciferol
- 1α,25-Dihydroxy-2α-(4-hydroxybutyl)cholecalciferol
- (5Z,7E)-2α-(4-Hydroxybutyl)-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
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