Chem
J-GLOBAL ID：201007017576659513   Nikkaji number：J2.866.536I

YK-11

(20E)-17α,20-[(1-メトキシエタン-1,1-ジイル)ビスオキシ]-3-オキソ-19-ノルプレグナ-4,20-ジエン-21-カルボン酸メチル
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： C25H34O6
Molecular formula furigana： C25-H34-O6
Molecular weight： 430.541
InChI： InChI=1S/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17-,18+,19+,20-,23-,24?,25-/m0/s1
InChI key： KCQHQCDHFVGNMK-DEIKBOPOSA-N
SMILES： COC(=O)/C=C\1/OC(C)(OC)O[C@]21CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C
Systematic name  (3)：
  • (20E)-17α,20-[(1-メトキシエタン-1,1-ジイル)ビスオキシ]-3-オキソ-19-ノルプレグナ-4,20-ジエン-21-カルボン酸メチル
  • メチル 2-[(1R,3aS,3bR,9aR,9bS,11aS)-5'-メトキシ-5',11a-ジメチル-7-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'-[1,4]ジオキソラン]-3'-イリデン]アセタート
  • methyl 2-[(1R,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate
Other name (2)：
  • (20E)-17α,20-[(1-Methoxyethane-1,1-diyl)bisoxy]-3-oxo-19-norpregna-4,20-diene-21-carboxylic acid methyl ester
  • YK-11
CAS registry number： 1370003-76-1
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