Chem
J-GLOBAL ID：200907021709266079   Nikkaji number：J835.298D

CGP-30083

9α,11α-エポキシ-7α-(メトキシカルボニル)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸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： C24H30O6
Molecular formula furigana： C24-H30-O6
Molecular weight： 414.498
InChI： InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23+,24-/m1/s1
InChI key： JUKPWJGBANNWMW-LHLFPRHESA-N
SMILES： COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]42CCC(=O)O4)[C@H]13
Systematic name  (3)：
  • 9α,11α-エポキシ-7α-(メトキシカルボニル)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸γ-ラクトン
  • メチル (1'R,2S,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-ジメチル-5,5'-ジオキソ-18'-オキサスピロ[オキソラン-2,14'-ペンタシクロ[8.8.0.01,17.02,7.011,15]オクタデカン]-6'-エン-9'-カルボキシラート
  • methyl (1'R,2S,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.01,17.02,7.011,15]octadecan]-6'-ene-9'-carboxylate
Other name (2)：
  • CGP-30083
  • 9α,11α-Epoxy-7α-(methoxycarbonyl)-17-hydroxy-3-oxopregn-4-ene-21-carboxylic acid γ-lactone
CAS registry number： 107724-20-9
KEGG DRUG： D01115
KEGG COMPOUND： C12512
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