Chem
J-GLOBAL ID：200907043658565312
Nikkaji number：J525.485J
(2E,4S,5R,6R)-4-(Acetyloxy)-6-(benzyloxy)-6-(2,3-dimethoxyphenyl)-5-methyl-2-hexenoic acid methyl ester
(2E,4S,5R,6R)-4-(アセチルオキシ)-6-(ベンジルオキシ)-6-(2,3-ジメトキシフェニル)-5-メチル-2-ヘキセン酸メチル
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
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
Molecular formula： C25H30O7
Molecular formula furigana： C25-H30-O7
Molecular weight： 442.508
InChI：
InChI=1S/C25H30O7/c1-17(21(32-18(2)26)14-15-23(27)29-4)24(31-16-19-10-7-6-8-11-19)20-12-9-13-22(28-3)25(20)30-5/h6-15,17,21,24H,16H2,1-5H3/b15-14+/t17-,21+,24-/m1/s1
InChI key：
JJCPPIGBNHCYKE-SRLXIMFZSA-N
SMILES：
COC(=O)/C=C/[C@H](OC(=O)C)[C@@H](C)[C@@H](OCc1ccccc1)c1cccc(OC)c1OC
Systematic name (3)：
- (2E,4S,5R,6R)-4-(アセチルオキシ)-6-(ベンジルオキシ)-6-(2,3-ジメトキシフェニル)-5-メチル-2-ヘキセン酸メチル
- メチル (2E,4S,5R,6R)-4-(アセチルオキシ)-6-(ベンジルオキシ)-6-(2,3-ジメトキシフェニル)-5-メチルヘキサ-2-エノアート
- methyl (2E,4S,5R,6R)-4-(acetyloxy)-6-(benzyloxy)-6-(2,3-dimethoxyphenyl)-5-methylhex-2-enoate
- (2E,4S,5R,6R)-4-(Acetyloxy)-6-(benzyloxy)-6-(2,3-dimethoxyphenyl)-5-methyl-2-hexenoic acid methyl ester
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