Chem
J-GLOBAL ID：200907054400613993
Nikkaji number：J1.266.017K
1α,25-Dihydroxy-2α-propylcholecalciferol
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 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： 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-/m1/s1
InChI key：
GMZWKFJQHMQHAO-FMIFKYABSA-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 (5)：
- 2α-プロピル-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-プロピルコレカルシフェロール
- (5Z,7E)-2α-プロピル-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}-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-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidene-2-propylcyclohexane-1,3-diol
- 2α-Propyl-1α,25-dihydroxycholecalciferol
- 1α,25-Dihydroxy-2α-propylcholecalciferol
- (5Z,7E)-2α-Propyl-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
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