Chem
J-GLOBAL ID:200907001921955630   Nikkaji number:J2.028.051D

Benzoic acid (1R,2R,4S,6R,7R)-1-vinyl-2,6-dimethoxy-4-hydroxy-7-(benzyloxy)-8-oxo-9,9,10-trimethyl-10-undecenyl ester

安息香酸(1R,2R,4S,6R,7R)-1-ビニル-2,6-ジメトキシ-4-ヒドロキシ-7-(ベンジルオキシ)-8-オキソ-9,9,10-トリメチル-10-ウンデセニル
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: C32H42O7
Molecular formula furigana: C32-H42-O7
Molecular weight: 538.681
InChI: InChI=1S/C32H42O7/c1-8-26(39-31(35)24-17-13-10-14-18-24)27(36-6)19-25(33)20-28(37-7)29(30(34)32(4,5)22(2)3)38-21-23-15-11-9-12-16-23/h8-18,25-29,33H,1-2,19-21H2,3-7H3/t25-,26+,27+,28+,29+/m0/s1
InChI key: HKXKHEYJDJSXHB-MMBNBZRISA-N
SMILES: CO[C@H](C[C@H](O)C[C@@H](OC)[C@@H](OCc1ccccc1)C(=O)C(C)(C)C(=C)C)[C@H](OC(=O)c1ccccc1)C=C
Systematic name  (3):
  • 安息香酸(1R,2R,4S,6R,7R)-1-ビニル-2,6-ジメトキシ-4-ヒドロキシ-7-(ベンジルオキシ)-8-オキソ-9,9,10-トリメチル-10-ウンデセニル
  • (3R,4R,6S,8R,9R)-9-(ベンジルオキシ)-6-ヒドロキシ-4,8-ジメトキシ-11,11,12-トリメチル-10-オキソトリデカ-1,12-ジエン-3-イル ベンゾアート
  • (3R,4R,6S,8R,9R)-9-(benzyloxy)-6-hydroxy-4,8-dimethoxy-11,11,12-trimethyl-10-oxotrideca-1,12-dien-3-yl benzoate
Other name (1):
  • Benzoic acid (1R,2R,4S,6R,7R)-1-vinyl-2,6-dimethoxy-4-hydroxy-7-(benzyloxy)-8-oxo-9,9,10-trimethyl-10-undecenyl ester
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