Chem
J-GLOBAL ID：200907025220394924   Nikkaji number：J724.295F

4,4,8-Trimethyl-6α-acetoxy-17-methylene-17aα-(acetoxymethyl)-D-homo-5α-androstan-16-one

4,4,8-トリメチル-6α-アセトキシ-17-メチレン-17aα-(アセトキシメチル)-D-ホモ-5α-アンドロスタン-16-オン
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： C29H44O5
Molecular formula furigana： C29-H44-O5
Molecular weight： 472.666
InChI： InChI=1S/C29H44O5/c1-17-20(16-33-18(2)30)27(6)13-10-23-28(7)12-9-11-26(4,5)25(28)22(34-19(3)31)15-29(23,8)24(27)14-21(17)32/h20,22-25H,1,9-16H2,2-8H3/t20-,22+,23-,24-,25+,27-,28-,29-/m1/s1
InChI key： XEHVBIIBUWIKEV-IZEGDMBBSA-N
SMILES： CC(=O)OC[C@@H]1C(=C)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](C[C@@]21C)OC(=O)C
Systematic name  (3)：
  • 4,4,8-トリメチル-6α-アセトキシ-17-メチレン-17aα-(アセトキシメチル)-D-ホモ-5α-アンドロスタン-16-オン
  • [(1S,4aS,4bR,6S,6aS,10aR,10bS,12aS)-6-(アセチルオキシ)-4b,7,7,10a,12a-ペンタメチル-2-メチリデン-3-オキソ-オクタデカヒドロクリセン-1-イル]メチル アセタート
  • [(1S,4aS,4bR,6S,6aS,10aR,10bS,12aS)-6-(acetyloxy)-4b,7,7,10a,12a-pentamethyl-2-methylidene-3-oxo-octadecahydrochrysen-1-yl]methyl acetate
Other name (1)：
  • 4,4,8-Trimethyl-6α-acetoxy-17-methylene-17aα-(acetoxymethyl)-D-homo-5α-androstan-16-one
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