Products 1360077-48-0
CAS 1360077-48-0 is the registry number for α-Amyrin caffeate. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 1360077-48-0) is a chemical compound with the molecular formula C39H56O4 and a molecular weight of 588.9 g/mol. IUPAC name: [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: RHLLOSOXHQJHSM-HIQVWUDVSA-N.
| Molecular formula | C39H56O4 |
|---|---|
| Molecular weight | 588.9 g/mol |
| IUPAC name | [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChIKey | RHLLOSOXHQJHSM-HIQVWUDVSA-N |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)C)[C@@H]2[C@H]1C)C)C |
Computed by PubChem (NCBI)
Synonyms:
alpha-Amyrin caffeate