Chem
J-GLOBAL ID：200907076563849068
Nikkaji number：J1.398.422K
1α,25-Dihydroxy-2α-(4-hydroxybutoxy)cholecalciferol
1α,25-ジヒドロキシ-2α-(4-ヒドロキシブトキシ)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： C31H52O5
Molecular formula furigana： C31-H52-O5
Molecular weight： 504.752
InChI：
InChI=1S/C31H52O5/c1-21(10-8-16-30(3,4)35)25-14-15-26-23(11-9-17-31(25,26)5)12-13-24-20-27(33)29(28(34)22(24)2)36-19-7-6-18-32/h12-13,21,25-29,32-35H,2,6-11,14-20H2,1,3-5H3/b23-12+,24-13-/t21-,25-,26+,27-,28-,29+,31-/m1/s1
InChI key：
WONSAWOUOLMNHF-IBOBMRDDSA-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](OCCCCO)[C@H](O)C3=C)/CCC[C@]12C
Systematic name (5)：
- 2α-(4-ヒドロキシブトキシ)-1α,25-ジヒドロキシコレカルシフェロール
- (5Z,7E)-2α-(4-ヒドロキシブトキシ)-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
- 1α,25-ジヒドロキシ-2α-(4-ヒドロキシブトキシ)コレカルシフェロール
- (1R,2S,3R,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-ヒドロキシブトキシ)-4-メチリデンシクロヘキサン-1,3-ジオール
- (1R,2S,3R,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-hydroxybutoxy)-4-methylidenecyclohexane-1,3-diol
- 2α-(4-Hydroxybutoxy)-1α,25-dihydroxycholecalciferol
- (5Z,7E)-2α-(4-Hydroxybutoxy)-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
- 1α,25-Dihydroxy-2α-(4-hydroxybutoxy)cholecalciferol
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