Chem
J-GLOBAL ID：200907027280616767
Nikkaji number：J749.957D
3-Oxo-6-hydroxy-9-[2,5-bis(acetoxymethoxycarbonyl)phenyl]-3H-xanthene-2,7-bispropionic acid bis(acetoxymethyl) ester
3-オキソ-6-ヒドロキシ-9-[2,5-ビス(アセトキシメトキシカルボニル)フェニル]-3H-キサンテン-2,7-ビスプロピオン酸ビス(アセトキシメチル)
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： C39H36O19
Molecular formula furigana： C39-H36-O19
Molecular weight： 808.698
InChI：
InChI=1S/C39H36O19/c1-20(40)50-16-54-35(46)9-6-24-11-29-33(14-31(24)44)58-34-15-32(45)25(7-10-36(47)55-17-51-21(2)41)12-30(34)37(29)28-13-26(38(48)56-18-52-22(3)42)5-8-27(28)39(49)57-19-53-23(4)43/h5,8,11-15,44H,6-7,9-10,16-19H2,1-4H3
InChI key：
WFGKALQMBDKNHG-UHFFFAOYSA-N
SMILES：
CC(=O)OCOC(=O)CCc1cc2c(c3cc(ccc3C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)c3cc(CCC(=O)OCOC(=O)C)c(=O)cc3oc2cc1O
Systematic name (3)：
- 3-オキソ-6-ヒドロキシ-9-[2,5-ビス(アセトキシメトキシカルボニル)フェニル]-3H-キサンテン-2,7-ビスプロピオン酸ビス(アセトキシメチル)
- (アセチルオキシ)メチル 3-(2-{3-[(アセチルオキシ)メトキシ]-3-オキソプロピル}-9-(2,5-ジ{[(アセチルオキシ)メトキシ]カルボニル}フェニル)-6-ヒドロキシ-3-オキソ-3H-キサンテン-7-イル)プロパノアート
- (acetyloxy)methyl 3-(2-{3-[(acetyloxy)methoxy]-3-oxopropyl}-9-(2,5-di{[(acetyloxy)methoxy]carbonyl}phenyl)-6-hydroxy-3-oxo-3H-xanthen-7-yl)propanoate
- 3-Oxo-6-hydroxy-9-[2,5-bis(acetoxymethoxycarbonyl)phenyl]-3H-xanthene-2,7-bispropionic acid bis(acetoxymethyl) ester
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