Chem
J-GLOBAL ID：200907020858118914   Nikkaji number：J83.646J

16β-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid γ-lactone

16β-ヒドロキシ-3,11-ジオキソプレグナ-4,17(20)-ジエン-21-酸γ-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： C21H24O4
Molecular formula furigana： C21-H24-O4
Molecular weight： 340.419
InChI： InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1
InChI key： RBULKOMEEZXUGR-BIOQOPCMSA-N
SMILES： C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H]1OC(=O)C=C21
Systematic name  (3)：
  • 16β-ヒドロキシ-3,11-ジオキソプレグナ-4,17(20)-ジエン-21-酸γ-ラクトン
  • (1S,2S,4S,9S,12S,13R)-9,13-ジメチル-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-7,17-ジエン-6,11,16-トリオン
  • (1S,2S,4S,9S,12S,13R)-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-7,17-diene-6,11,16-trione
Other name (1)：
  • 16β-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid γ-lactone
CAS registry number： 337-68-8
Regulation number (1)：
  • TU4156000
KEGG COMPOUND： C14637
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