Chem
J-GLOBAL ID：200907067591997707   Nikkaji number：J619.905D

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

(22S,23S)-3α,22,23-トリヒドロキシ-23-(4-クロロフェニル)-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： C29H41ClO4
Molecular formula furigana： C29-H41-CL-O4
Molecular weight： 489.090
InChI： InChI=1S/C29H41ClO4/c1-16(26(33)27(34)17-4-6-18(30)7-5-17)21-8-9-22-20-15-25(32)24-14-19(31)10-12-29(24,3)23(20)11-13-28(21,22)2/h4-7,16,19-24,26-27,31,33-34H,8-15H2,1-3H3/t16-,19+,20-,21+,22-,23-,24+,26-,27-,28+,29+/m0/s1
InChI key： KJFLUVXYFNWBOP-YIORZLLUSA-N
SMILES： C[C@H]([C@H](O)[C@@H](O)c1ccc(Cl)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)：
  • (22S,23S)-3α,22,23-トリヒドロキシ-23-(4-クロロフェニル)-24-ノル-5α-コラン-6-オン
  • (1R,3aS,3bS,5aS,7R,9aR,9bS,11aS)-1-[(2S,3S,4S)-4-(4-クロロフェニル)-3,4-ジヒドロキシブタン-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,3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxybutan-2-yl]-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
Other name (1)：
  • (22S,23S)-3α,22,23-Trihydroxy-23-(4-chlorophenyl)-24-nor-5α-cholan-6-one
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