Chem
J-GLOBAL ID：200907041233708150   Nikkaji number：J1.479.455G

(2S)-4aβ,5a,6,6a,7a,8,11aα,12,12aα,13aα,14,14aα-Dodecahydro-5aβ,6aβ,7aβ-trimethyl-2-phenyl-2H,4H-1,3,5,7,11,13-hexaoxapentacene-10(9H)-one

(2S,4aS,5aR,6aS,7aR,11aS,12aR,13aS,14aR)-5a,6a,7a-トリメチル-2-フェニル-ヘキサデカヒドロ-1,3,5,7,11,13-ヘキサオキサペンタセン-10-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： C25H32O7
Molecular formula furigana： C25-H32-O7
Molecular weight： 444.524
InChI： InChI=1S/C25H32O7/c1-23-10-9-21(26)30-19(23)12-20-25(3,32-23)14-24(2)18(29-20)11-16-17(31-24)13-27-22(28-16)15-7-5-4-6-8-15/h4-8,16-20,22H,9-14H2,1-3H3/t16-,17+,18+,19+,20-,22+,23-,24-,25+/m1/s1
InChI key： QMGHTPCGVYSGBW-GZRZTLDASA-N
SMILES： C[C@@]12CCC(=O)O[C@H]1C[C@H]1O[C@H]3C[C@H]4O[C@H](OC[C@@H]4O[C@]3(C)C[C@]1(C)O2)c1ccccc1
Systematic name  (4)：
  • (2S)-4aβ,5a,6,6a,7a,8,11aα,12,12aα,13aα,14,14aα-ドデカヒドロ-5aβ,6aβ,7aβ-トリメチル-2-フェニル-2H,4H-1,3,5,7,11,13-ヘキサオキサペンタセン-10(9H)-オン
  • (2S)-2β-フェニル-5aβ,6aβ,7aβ-トリメチル-4,4aβ,5a,6a,8,9,11aα,12,12aα,13aα,14,14aα-ドデカヒドロ-2H,6H-1,3,5,7,11,13-ヘキサオキサペンタセン-10(7aH)-オン
  • (2S,4aS,5aR,6aS,7aR,11aS,12aR,13aS,14aR)-5a,6a,7a-トリメチル-2-フェニル-ヘキサデカヒドロ-1,3,5,7,11,13-ヘキサオキサペンタセン-10-オン
  • (2S,4aS,5aR,6aS,7aR,11aS,12aR,13aS,14aR)-5a,6a,7a-trimethyl-2-phenyl-hexadecahydro-1,3,5,7,11,13-hexaoxapentacen-10-one
Other name (2)：
  • (2S)-4aβ,5a,6,6a,7a,8,11aα,12,12aα,13aα,14,14aα-Dodecahydro-5aβ,6aβ,7aβ-trimethyl-2-phenyl-2H,4H-1,3,5,7,11,13-hexaoxapentacene-10(9H)-one
  • (2S)-2β-Phenyl-5aβ,6aβ,7aβ-trimethyl-4,4aβ,5a,6a,8,9,11aα,12,12aα,13aα,14,14aα-dodecahydro-2H,6H-1,3,5,7,11,13-hexaoxapentacene-10(7aH)-one
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