Chem
J-GLOBAL ID：200907096166978219   Nikkaji number：J737.681B

(3S,4S,5S,7R,8R,9R)-5,7-Dimethyl-6-oxo-3,9:4,8-diepoxy-1,2-dioxonane-4-(1-propanol)benzoate

(3S,4S,5S,7R,8R,9R)-5,7-ジメチル-6-オキソ-3,9:4,8-ジエポキシ-1,2-ジオキソナン-4-(1-プロパノール)ベンゾアート
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： C19H22O7
Molecular formula furigana： C19-H22-O7
Molecular weight： 362.378
InChI： InChI=1S/C19H22O7/c1-11-14(20)12(2)19(18-23-17(25-26-18)15(11)24-19)9-6-10-22-16(21)13-7-4-3-5-8-13/h3-5,7-8,11-12,15,17-18H,6,9-10H2,1-2H3/t11-,12+,15+,17+,18?,19-/m0/s1
InChI key： AFQZWXIKCIOVIM-BTAQTIQWSA-N
SMILES： C[C@@H]1[C@H]2O[C@](CCCOC(=O)c3ccccc3)([C@@H]3OO[C@H]2O3)[C@H](C)C1=O
Systematic name  (3)：
  • (3S,4S,5S,7R,8R,9R)-5,7-ジメチル-6-オキソ-3,9:4,8-ジエポキシ-1,2-ジオキソナン-4-(1-プロパノール)ベンゾアート
  • 3-[(1S,2S,5R,6R,7R,9S)-7,9-ジメチル-8-オキソ-3,4,10,11-テトラオキサトリシクロ[4.3.1.12,5]ウンデカン-1-イル]プロピル ベンゾアート
  • 3-[(1S,2S,5R,6R,7R,9S)-7,9-dimethyl-8-oxo-3,4,10,11-tetraoxatricyclo[4.3.1.12,5]undecan-1-yl]propyl benzoate
Other name (1)：
  • (3S,4S,5S,7R,8R,9R)-5,7-Dimethyl-6-oxo-3,9:4,8-diepoxy-1,2-dioxonane-4-(1-propanol)benzoate
Thsaurus map：
Thesaurus Map

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