Chem
J-GLOBAL ID：200907020648225670   Nikkaji number：J1.544.401K

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 17-oxo-5α-androstane-3β-yl ester

3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸17-オキソ-5α-アンドロスタン-3β-イル
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： C36H46O9
Molecular formula furigana： C36-H46-O9
Molecular weight： 622.755
InChI： InChI=1S/C36H46O9/c1-5-32(38)43-19-17-41-29-11-7-23(21-30(29)42-18-20-44-33(39)6-2)34(40)45-25-13-15-35(3)24(22-25)8-9-26-27-10-12-31(37)36(27,4)16-14-28(26)35/h5-7,11,21,24-28H,1-2,8-10,12-20,22H2,3-4H3/t24-,25-,26-,27-,28-,35-,36-/m0/s1
InChI key： UWOYLZHGUNSSSF-KVFBDPCESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)c3ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c3)[C@@H]1CCC2=O
Systematic name  (3)：
  • 3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸17-オキソ-5α-アンドロスタン-3β-イル
  • (3aS,3bR,5aS,7S,9aS,9bS,11aS)-9a,11a-ジメチル-1-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル 3,4-ビス[2-(プロパ-2-エノイルオキシ)エトキシ]ベンゾアート
  • (3aS,3bR,5aS,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3,4-bis[2-(prop-2-enoyloxy)ethoxy]benzoate
Other name (1)：
  • 3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 17-oxo-5α-androstane-3β-yl ester
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