Chem
J-GLOBAL ID：200907030643568833   Nikkaji number：J724.293J

4,4,8,17-Tetramethyl-17aα-(acetoxymethyl)-D-homo-5α-androst-16-en-6α-ol acetate

4,4,8,17-テトラメチル-17aα-(アセトキシメチル)-D-ホモ-5α-アンドロスタ-16-エン-6α-オールアセタート
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： C29H46O4
Molecular formula furigana： C29-H46-O4
Molecular weight： 458.683
InChI： InChI=1S/C29H46O4/c1-18-10-11-23-27(6,21(18)17-32-19(2)30)15-12-24-28(7)14-9-13-26(4,5)25(28)22(33-20(3)31)16-29(23,24)8/h10,21-25H,9,11-17H2,1-8H3/t21-,22+,23-,24-,25+,27-,28-,29+/m1/s1
InChI key： NGHZQADJICWVSS-SRBALQQYSA-N
SMILES： CC(=O)OC[C@@H]1C(=CC[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)C
Systematic name  (3)：
  • 4,4,8,17-テトラメチル-17aα-(アセトキシメチル)-D-ホモ-5α-アンドロスタ-16-エン-6α-オールアセタート
  • [(1R,4aS,4bR,6S,6aS,10aR,10bS,12aS)-6-(アセチルオキシ)-2,4b,7,7,10a,12a-ヘキサメチル-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-ヘキサデカヒドロクリセン-1-イル]メチル アセタート
  • [(1R,4aS,4bR,6S,6aS,10aR,10bS,12aS)-6-(acetyloxy)-2,4b,7,7,10a,12a-hexamethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-1-yl]methyl acetate
Other name (1)：
  • 4,4,8,17-Tetramethyl-17aα-(acetoxymethyl)-D-homo-5α-androst-16-en-6α-ol acetate
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