Chem
J-GLOBAL ID：200907061891718763
Nikkaji number：J1.266.019G
1α,25-Dihydroxy-2α-(hydroxymethyl)cholecalciferol
1α,25-ジヒドロキシ-2α-(ヒドロキシメチル)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： C28H46O4
Molecular formula furigana： C28-H46-O4
Molecular weight： 446.672
InChI：
InChI=1S/C28H46O4/c1-18(8-6-14-27(3,4)32)23-12-13-24-20(9-7-15-28(23,24)5)10-11-21-16-25(30)22(17-29)26(31)19(21)2/h10-11,18,22-26,29-32H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25-,26-,28-/m1/s1
InChI key：
WHBBADNSHRCBQJ-IERFLSGESA-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](CO)[C@H](O)C3=C)/CCC[C@]12C
Systematic name (6)：
- 2α-(ヒドロキシメチル)-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-(ヒドロキシメチル)コレカルシフェロール
- (5Z,7E)-2α-ヒドロキシメチル-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
- (5Z,7E)-2α-(ヒドロキシメチル)-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-(ヒドロキシメチル)-4-メチリデンシクロヘキサン-1,3-ジオール
Show all
- 2α-(Hydroxymethyl)-1α,25-dihydroxycholecalciferol
- 1α,25-Dihydroxy-2α-(hydroxymethyl)cholecalciferol
- (5Z,7E)-2α-Hydroxymethyl-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
- (5Z,7E)-2α-(Hydroxymethyl)-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol
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