Chem
J-GLOBAL ID：200907059613050056   Nikkaji number：J2.050.109J

(20S)-5β,20-Dihydroxy-3-oxocholane-24-oic acid 24,20-lactone

(20S)-5β,20-ジヒドロキシ-3-オキソコラン-24-酸24,20-ラクトン
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： C24H36O4
Molecular formula furigana： C24-H36-O4
Molecular weight： 388.548
InChI： InChI=1S/C24H36O4/c1-21-10-8-18-16(7-13-24(27)14-15(25)6-11-22(18,24)2)17(21)4-5-19(21)23(3)12-9-20(26)28-23/h16-19,27H,4-14H2,1-3H3/t16-,17-,18-,19-,21-,22+,23-,24-/m0/s1
InChI key： SIEOYQQDHXTFMM-TUYSHKMCSA-N
SMILES： C[C@]1(CCC(=O)O1)[C@H]1CC[C@H]2[C@@H]3CC[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (20S)-5β,20-ジヒドロキシ-3-オキソコラン-24-酸24,20-ラクトン
  • (5S)-5-[(1S,3aS,3bS,5aS,9aR,9bS,11aS)-5a-ヒドロキシ-9a,11a-ジメチル-7-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-5-メチルオキソラン-2-オン
  • (5S)-5-[(1S,3aS,3bS,5aS,9aR,9bS,11aS)-5a-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
Other name (1)：
  • (20S)-5β,20-Dihydroxy-3-oxocholane-24-oic acid 24,20-lactone
Thsaurus map：
Thesaurus Map

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