Chem
J-GLOBAL ID:200907025191290162   Nikkaji number:J677.916F

1αOHD4

1α-ヒドロキシビタミンD4
Substance type:
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
Molecular formula: C28H46O2
Molecular formula furigana: C28-H46-O2
Molecular weight: 414.674
InChI: InChI=1S/C28H46O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h11-12,18-20,24-27,29-30H,5,7-10,13-17H2,1-4,6H3/b22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChI key: NEETXMRNUNEBRH-GOTXBORWSA-N
SMILES: CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3):
  • 1α-ヒドロキシ-22,23-ジヒドロエルゴカルシフェロール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5S)-5,6-ジメチルヘプタン-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-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Other name (4):
  • 1α-ヒドロキシビタミンD4
  • 1α-Hydroxy-22,23-dihydroergocalciferol
  • 1α-OH-D4
  • 1αOHD4
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