Chem
J-GLOBAL ID：200907074704855684   Nikkaji number：J32.843J

Dicirenone

ジシレノン
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： C26H36O5
Molecular formula furigana： C26-H36-O5
Molecular weight： 428.569
InChI： InChI=1S/C26H36O5/c1-15(2)30-23(29)18-14-16-13-17(27)5-9-24(16,3)19-6-10-25(4)20(22(18)19)7-11-26(25)12-8-21(28)31-26/h13,15,18-20,22H,5-12,14H2,1-4H3/t18-,19+,20+,22-,24+,25+,26-/m1/s1
InChI key： WUVPAYPBMZMHJO-IMNLCBETSA-N
SMILES： CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]43CCC(=O)O4)[C@H]12
Systematic name  (3)：
  • (17R)-17-ヒドロキシ-3-オキソ-7α-(イソプロピルオキシカルボニル)プレグナ-4-エン-21-カルボン酸γ-ラクトン
  • プロパン-2-イル (1R,3aS,3bR,4R,9aR,9bS,11aS)-9a,11a-ジメチル-5',7-ジオキソ-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキソラン]-4-カルボキシラート
  • propan-2-yl (1R,3aS,3bR,4R,9aR,9bS,11aS)-9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4-carboxylate
Other name (3)：
  • ジシレノン
  • Dicirenone
  • (17R)-17-Hydroxy-3-oxo-7α-(isopropyloxycarbonyl)pregn-4-ene-21-carboxylic acid γ-lactone
CAS registry number： 41020-79-5
KEGG DRUG： D03792
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