Chem
J-GLOBAL ID：201007056359159290   Nikkaji number：J2.802.295F

(2R,4aα,8aβ,9aβ,10aα)-2α-Phenyl-6β-acetoxy-7α-(4-methylphenylsulfinylmethyl)octahydro-2H,5H-1,3,8,10-tetraoxaanthracene

(2R,4aα,8aβ,9aβ,10aα)-2α-フェニル-6β-アセトキシ-7α-(4-メチルフェニルスルフィニルメチル)オクタヒドロ-2H,5H-1,3,8,10-テトラオキサアントラセン
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： C26H30O7S
Molecular formula furigana： C26-H30-O7-S
Molecular weight： 486.580
InChI： InChI=1S/C26H30O7S/c1-16-8-10-19(11-9-16)34(28)15-25-23(30-17(2)27)13-20-21(32-25)12-22-24(31-20)14-29-26(33-22)18-6-4-3-5-7-18/h3-11,20-26H,12-15H2,1-2H3/t20-,21+,22-,23+,24+,25-,26+,34?/m0/s1
InChI key： RENANPABCKUYLL-ZGDWMGKBSA-N
SMILES： CC(=O)O[C@@H]1C[C@@H]2O[C@@H]3CO[C@H](O[C@H]3C[C@H]2O[C@H]1CS(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (3)：
  • (2R,4aα,8aβ,9aβ,10aα)-2α-フェニル-6β-アセトキシ-7α-(4-メチルフェニルスルフィニルメチル)オクタヒドロ-2H,5H-1,3,8,10-テトラオキサアントラセン
  • (1S,3R,6R,8S,10R,12R,13R)-12-[(4-メチルベンゼンスルフィニル)メチル]-6-フェニル-2,5,7,11-テトラオキサトリシクロ[8.4.0.03,8]テトラデカン-13-イル アセタート
  • (1S,3R,6R,8S,10R,12R,13R)-12-[(4-methylbenzenesulfinyl)methyl]-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl acetate
Other name (1)：
  • (2R,4aα,8aβ,9aβ,10aα)-2α-Phenyl-6β-acetoxy-7α-(4-methylphenylsulfinylmethyl)octahydro-2H,5H-1,3,8,10-tetraoxaanthracene
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