Chem
J-GLOBAL ID:200907025171226123   Nikkaji number:J468.305F

25-Hydroxy[6,19,19-2H3]cholecalciferol

25-ヒドロキシ[6,19,19-2H3]コレカルシフェロール
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: C27H41[2H]3O2
Molecular formula furigana: C27-H44-O2
Molecular weight: 403.665
InChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1D2,12D
InChI key: JWUBBDSIWDLEOM-CMMPNOGOSA-N
SMILES: C(=C1CC[C@H](O)C/C/1=C(\[2H])/C=C/1\CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)(C)O)([2H])[2H]
Systematic name  (3):
  • 25-ヒドロキシ[6,19,19-2H3]コレカルシフェロール
  • (1S,3Z)-3-{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](1-2H)エチリデン}-4-(2H2)メチリデンシクロヘキサン-1-オール
  • (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene](1-2H)ethylidene}-4-(2H2)methylidenecyclohexan-1-ol
Other name (1):
  • 25-Hydroxy[6,19,19-2H3]cholecalciferol
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