Chem
J-GLOBAL ID：200907035818552228
Nikkaji number：J2.365.412A
3-[(3aα,4R)-1,5-Dioxo-7aβ-methylhydrindane-4α-yl]-3-hydroxypropionic acid
3-[(3aα,4R)-1,5-ジオキソ-7aβ-メチルヒドリンダン-4α-イル]-3-ヒドロキシプロピオン酸
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： C13H18O5
Molecular formula furigana： C13-H18-O5
Molecular weight： 254.282
InChI：
InChI=1S/C13H18O5/c1-13-5-4-8(14)12(9(15)6-11(17)18)7(13)2-3-10(13)16/h7,9,12,15H,2-6H2,1H3,(H,17,18)/t7-,9?,12-,13-/m0/s1
InChI key：
PNNDLNOWUGHNDK-IBGQVBCXSA-N
SMILES：
C[C@]12CCC(=O)[C@@H](C(O)CC(=O)O)[C@@H]1CCC2=O
Systematic name (3)：
- 3-[(3aα,4R)-1,5-ジオキソ-7aβ-メチルヒドリンダン-4α-イル]-3-ヒドロキシプロピオン酸
- 3-[(3aS,4R,7aS)-7a-メチル-1,5-ジオキソ-オクタヒドロ-1H-インデン-4-イル]-3-ヒドロキシプロパン酸
- 3-[(3aS,4R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoic acid
- 3-[(3aα,4R)-1,5-Dioxo-7aβ-methylhydrindane-4α-yl]-3-hydroxypropionic acid
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