Chem
J-GLOBAL ID：200907080348379023   Nikkaji number：J8.429H

Spiroxasone

スピロキサソン
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： C24H34O3S
Molecular formula furigana： C24-H34-O3-S
Molecular weight： 402.590
InChI： InChI=1S/C24H34O3S/c1-15(25)28-20-14-16-13-17(26)5-9-22(16,2)18-6-10-23(3)19(21(18)20)7-11-24(23)8-4-12-27-24/h13,18-21H,4-12,14H2,1-3H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChI key： XKCGICBTWRNUCL-KIEAKMPYSA-N
SMILES： CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]43CCCO4)[C@H]12
Systematic name  (3)：
  • (17R)-4′,5′-ジヒドロ-7α-(アセチルチオ)スピロ[アンドロスタ-4-エン-17,2′(3′H)-フラン]-3-オン
  • (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(アセチルスルファニル)-9a,11a-ジメチル-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]-7-オン
  • (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
Other name (3)：
  • スピロキサソン
  • Spiroxasone
  • (17R)-4′,5′-Dihydro-7α-(acetylthio)spiro[androst-4-ene-17,2′(3′H)-furan]-3-one
CAS registry number： 6673-97-8
KEGG DRUG： D05912
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