3-o-Trans-p-coumaroyltormentic acid

cas: 121064-78-6 — see every product listed under this CAS number, including other names

3-o-Trans-p-coumaroyltormentic acid (CAS 121064-78-6) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberWEA06478-5mg
cas121064-78-6
size5mg
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properties

categoryNatural Products
purityNo data
delivery time4-6 weeks
Structural formula: {0} (CAS {1})

3-O-trans-p-coumaroyltormentic acid is a triterpenoid. It has a role as a metabolite.

Source: ChEBI

Identity
Molecular formulaC39H54O7
Molecular weight634.8 g/mol
IUPAC name(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,11-dihydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyBZORLJPADUHVJE-QWBBESJSSA-N
SMILESC[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 3-O-trans-p-coumaroyltormentic acid, 3-O-trans-p-Coumaroyltormentate, 3-O-p-Coumaroyltormentic acid, 3-O-p-coumaroyltormenic acid, orb1683570
Related forms of this compound
(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,11-dihydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C39H54O7
Isomers (same molecular formula)
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-6a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C39H54O7
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid C39H54O7