Chem
J-GLOBAL ID：200907042561908766   Nikkaji number：J152.450J

(20S)-3β-Hydroxy-4,4,14-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid

(20S)-3β-ヒドロキシ-4,4,14-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
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： C25H38O3
Molecular formula furigana： C25-H38-O3
Molecular weight： 386.576
InChI： InChI=1S/C25H38O3/c1-15(21(27)28)16-9-13-25(6)18-7-8-19-22(2,3)20(26)11-12-23(19,4)17(18)10-14-24(16,25)5/h7,10,15-16,19-20,26H,8-9,11-14H2,1-6H3,(H,27,28)/t15-,16+,19-,20-,23+,24+,25-/m0/s1
InChI key： UTSCVCXUBUMWOX-ICDOJPABSA-N
SMILES： C[C@@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O
Systematic name  (4)：
  • (20S)-3β-ヒドロキシ-4,4,14-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
  • (20S)-3β-ヒドロキシ-4,4,14α-トリメチル-5α-プレグナ-7,9(11)-ジエン-20-カルボン酸
  • (2S)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-ヒドロキシ-3a,6,6,9a,11a-ペンタメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]プロパン酸
  • (2S)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoic acid
Other name (2)：
  • (20S)-3β-Hydroxy-4,4,14-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid
  • (20S)-3β-Hydroxy-4,4,14α-trimethyl-5α-pregna-7,9(11)-diene-20-carboxylic acid
CAS registry number： 90522-85-3
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