Chem
J-GLOBAL ID：201407057100032785   Nikkaji number：J3.292.726B

(1R,22R)-1,24-Dihydroxy-2-methylene-22-butyl-24-ethyl-25-methyl-10-desmethylene-25,25-didemethylcholecalciferol

(1R,22R)-1,24-ジヒドロキシ-2-メチレン-22-ブチル-24-エチル-25-メチル-10-デスメチレン-25,25-ジデメチル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： C32H54O3
Molecular formula furigana： C32-H54-O3
Molecular weight： 486.781
InChI： InChI=1S/C32H54O3/c1-7-10-12-26(21-32(35,8-2)9-3)22(4)27-16-17-28-25(13-11-18-31(27,28)6)15-14-24-19-29(33)23(5)30(34)20-24/h14-15,22,26-30,33-35H,5,7-13,16-21H2,1-4,6H3/b25-15+/t22-,26-,27-,28+,29-,30-,31-/m1/s1
InChI key： OILLQCLQUXHGBN-ZVBNMKQKSA-N
SMILES： CCCC[C@H](CC(O)(CC)CC)[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C(=C)[C@H](O)C3)/CCC[C@]12C
Systematic name  (3)：
  • (1R,22R)-1,24-ジヒドロキシ-2-メチレン-22-ブチル-24-エチル-25-メチル-10-デスメチレン-25,25-ジデメチルコレカルシフェロール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3R)-3-ブチル-5-エチル-5-ヒドロキシヘプタン-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-メチリデンシクロヘキサン-1,3-ジオール
  • (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-2-methylidenecyclohexane-1,3-diol
Other name (1)：
  • (1R,22R)-1,24-Dihydroxy-2-methylene-22-butyl-24-ethyl-25-methyl-10-desmethylene-25,25-didemethylcholecalciferol
Thsaurus map：
Thesaurus Map

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