Chem
J-GLOBAL ID：200907069267277834
Nikkaji number：J1.496.271I
2α,25-Dihydroxycholecalciferol
2α,25-ジヒドロ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： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI：
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-20(9-7-15-27(22,23)5)10-11-21-17-25(29)24(28)16-19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,24-,25-,27-/m1/s1
InChI key：
YTGAZPZBULSIMK-STTGGJOTSA-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](O)CC3=C)/CCC[C@]12C
Systematic name (4)：
- (5Z,7E)-9,10-セココレスタ-5,7,10(19)-トリエン-2α,3β,25-トリオール
- 2α,25-ジヒドロキシコレカルシフェロール
- (1R,2R,4Z)-4-{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}-5-メチリデンシクロヘキサン-1,2-ジオール
- (1R,2R,4Z)-4-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-5-methylidenecyclohexane-1,2-diol
- (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-2α,3β,25-triol
- 2α,25-Dihydroxycholecalciferol
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