Chem
J-GLOBAL ID：200907099993677996   Nikkaji number：J619.903H

(22R,23R)-3α,22,23-Trihydroxy-23-(4-methylphenyl)-24-nor-5α-cholan-6-one

(22R,23R)-3α,22,23-トリヒドロキシ-23-(4-メチルフェニル)-24-ノル-5α-コラン-6-オン
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： C30H44O4
Molecular formula furigana： C30-H44-O4
Molecular weight： 468.678
InChI： InChI=1S/C30H44O4/c1-17-5-7-19(8-6-17)28(34)27(33)18(2)22-9-10-23-21-16-26(32)25-15-20(31)11-13-30(25,4)24(21)12-14-29(22,23)3/h5-8,18,20-25,27-28,31,33-34H,9-16H2,1-4H3/t18-,20+,21-,22+,23-,24-,25+,27+,28+,29+,30+/m0/s1
InChI key： UBISIRMVMSCEET-MRASWJQBSA-N
SMILES： C[C@H]([C@@H](O)[C@H](O)c1ccc(C)cc1)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,23R)-3α,22,23-トリヒドロキシ-23-(4-メチルフェニル)-24-ノル-5α-コラン-6-オン
  • (1R,3aS,3bS,5aS,7R,9aR,9bS,11aS)-1-[(2S,3R,4R)-3,4-ジヒドロキシ-4-(4-メチルフェニル)ブタン-2-イル]-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5-オン
  • (1R,3aS,3bS,5aS,7R,9aR,9bS,11aS)-1-[(2S,3R,4R)-3,4-dihydroxy-4-(4-methylphenyl)butan-2-yl]-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
Other name (1)：
  • (22R,23R)-3α,22,23-Trihydroxy-23-(4-methylphenyl)-24-nor-5α-cholan-6-one
Thsaurus map：
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