Products 7702-71-8

CAS 7702-71-8 is the registry number for Thymol O-(beta)-D-Glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 100mg, 10mg.

Thymol O-(beta)-D-Glucuronide, >95% (HPLC)
TRC
  • size: 100mg, 10mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid (CAS 7702-71-8) is a chemical compound with the molecular formula C16H22O7 and a molecular weight of 326.34 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid. InChIKey: ADQJSAVCKZSGMK-JHZZJYKESA-N.

Identity
Molecular formulaC16H22O7
Molecular weight326.34 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
InChIKeyADQJSAVCKZSGMK-JHZZJYKESA-N
SMILESCC1=CC(=C(C=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Thymol O-(beta)-D-Glucuronide, Thymol O-beta-D-Glucuronide, 5-Methyl-2-(1-methylethyl)phenyl ss-D-Glucopyranosiduronic Acid
Isomers (same molecular formula)
4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one C16H22O7
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-4-prop-2-enoxyoxane-3,5-diol C16H22O7
(3aS,4R,6S,7R,7aR)-4-(hydroxymethyl)-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol C16H22O7
methyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylate C16H22O7
diethyl 2-(3,4,5-trimethoxyphenyl)propanedioate C16H22O7
(2S,3S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-5-propan-2-ylphenoxy)oxane-2-carboxylic acid C16H22O7