Chem
J-GLOBAL ID:200907051047875033   Nikkaji number:J171.223C

Mespirenone

メスピレノン
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: C25H30O4S
Molecular formula furigana: C25-H30-O4-S
Molecular weight: 426.570
InChI: InChI=1S/C25H30O4S/c1-13(26)30-19-11-14-10-15(27)4-7-23(14,2)17-5-8-24(3)22(21(17)19)16-12-18(16)25(24)9-6-20(28)29-25/h4,7,10,16-19,21-22H,5-6,8-9,11-12H2,1-3H3/t16-,17+,18+,19-,21+,22+,23+,24+,25+/m1/s1
InChI key: CPHJTSJQUQZOLJ-ISIDMKFXSA-N
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]43CCC(=O)O4)[C@H]12
Systematic name  (3):
  • (17S)-7α-(アセチルチオ)-15α,16α-ジヒドロ-17-ヒドロキシ-3-オキソ-3′H-シクロプロパ[15,16]プレグナ-1,4,15-トリエン-21-カルボン酸γ-ラクトン
  • (1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-18'-(アセチルスルファニル)-7',11'-ジメチルスピロ[オキソラン-2,6'-ペンタシクロ[8.8.0.02,7.03,5.011,16]オクタデカン]-12',15'-ジエン-5,14'-ジオン
  • (1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-18'-(acetylsulfanyl)-7',11'-dimethylspiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadecane]-12',15'-diene-5,14'-dione
Other name (3):
  • メスピレノン
  • Mespirenone
  • (17S)-7α-(Acetylthio)-15α,16α-dihydro-17-hydroxy-3-oxo-3′H-cyclopropa[15,16]pregna-1,4,15-triene-21-carboxylic acid γ-lactone
CAS registry number: 87952-98-5
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