Chem
J-GLOBAL ID：200907094193360160
Nikkaji number：J1.184.112K
(4R)-4β,8-Diacetoxy-6-methyl-9-oxo-1,4,4a,9a-tetrahydro-9H-xanthene-4aα-carboxylic acid
(4R)-4β,8-ジアセトキシ-6-メチル-9-オキソ-1,4,4a,9a-テトラヒドロ-9H-キサンテン-4aα-カルボン酸
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： C19H18O8
Molecular formula furigana： C19-H18-O8
Molecular weight： 374.345
InChI：
InChI=1S/C19H18O8/c1-9-7-13(25-10(2)20)16-14(8-9)27-19(18(23)24)12(17(16)22)5-4-6-15(19)26-11(3)21/h4,6-8,12,15H,5H2,1-3H3,(H,23,24)/t12?,15-,19+/m1/s1
InChI key：
NDEJQKHYXOMTMH-YJVRRGMSSA-N
SMILES：
CC(=O)O[C@@H]1C=CCC2C(=O)c3c(OC(=O)C)cc(C)cc3O[C@]12C(=O)O
Systematic name (3)：
- (4R)-4β,8-ジアセトキシ-6-メチル-9-オキソ-1,4,4a,9a-テトラヒドロ-9H-キサンテン-4aα-カルボン酸
- (4R,4aS)-4,8-ビス(アセチルオキシ)-6-メチル-9-オキソ-4,4a,9,9a-テトラヒドロ-1H-キサンテン-4a-カルボン酸
- (4R,4aS)-4,8-bis(acetyloxy)-6-methyl-9-oxo-4,4a,9,9a-tetrahydro-1H-xanthene-4a-carboxylic acid
- (4R)-4β,8-Diacetoxy-6-methyl-9-oxo-1,4,4a,9a-tetrahydro-9H-xanthene-4aα-carboxylic acid
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