Chem
J-GLOBAL ID:200907017816146410   Nikkaji number:J367.603J

3,5-Dihydroxy-4-[4α-(1-methylethenyl)-1-methyl-1-cyclohexen-3-yl]benzeneacetic acid

3,5-ジヒドロキシ-4-[4α-(1-メチルエテニル)-1-メチル-1-シクロヘキセン-3-イル]ベンゼン酢酸
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: C18H22O4
Molecular formula furigana: C18-H22-O4
Molecular weight: 302.370
InChI: InChI=1S/C18H22O4/c1-10(2)13-5-4-11(3)6-14(13)18-15(19)7-12(8-16(18)20)9-17(21)22/h6-8,13-14,19-20H,1,4-5,9H2,2-3H3,(H,21,22)/t13-,14?/m0/s1
InChI key: OUKBHLQYTHARQB-LSLKUGRBSA-N
SMILES: CC(=C)[C@@H]1CCC(=CC1c1c(O)cc(CC(=O)O)cc1O)C
Systematic name  (3):
  • 3,5-ジヒドロキシ-4-[4α-(1-メチルエテニル)-1-メチル-1-シクロヘキセン-3-イル]ベンゼン酢酸
  • 2-{3,5-ジヒドロキシ-4-[(6R)-3-メチル-6-(プロパ-1-エン-2-イル)シクロヘキサ-2-エン-1-イル]フェニル}酢酸
  • 2-{3,5-dihydroxy-4-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]phenyl}acetic acid
Other name (1):
  • 3,5-Dihydroxy-4-[4α-(1-methylethenyl)-1-methyl-1-cyclohexen-3-yl]benzeneacetic acid
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