Chem
J-GLOBAL ID：200907062470449972   Nikkaji number：J619.902J

(22R,23R)-3α,22,23-Trihydroxy-23-(1-naphthyl)-24-nor-5α-cholan-6-one

(22R,23R)-3α,22,23-トリヒドロキシ-23-(1-ナフチル)-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： C33H44O4
Molecular formula furigana： C33-H44-O4
Molecular weight： 504.711
InChI： InChI=1S/C33H44O4/c1-19(30(36)31(37)23-10-6-8-20-7-4-5-9-22(20)23)25-11-12-26-24-18-29(35)28-17-21(34)13-15-33(28,3)27(24)14-16-32(25,26)2/h4-10,19,21,24-28,30-31,34,36-37H,11-18H2,1-3H3/t19-,21+,24-,25+,26-,27-,28+,30+,31+,32+,33+/m0/s1
InChI key： XZOHSDLPKCNAJG-BZCLTBPUSA-N
SMILES： C[C@H]([C@@H](O)[C@H](O)c1cccc2ccccc12)[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-(1-ナフチル)-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-(ナフタレン-1-イル)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-(naphthalen-1-yl)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-(1-naphthyl)-24-nor-5α-cholan-6-one
Thsaurus map：
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