Products 89130-86-9
CAS 89130-86-9 appears in our catalog under these names: Betulin Caffeate, 3-O-Caffeoyl-betulin, 3-O-Caffeoyl-betulin, 96.00%. Offered by: Chemat Brand, TRC, Chemat, MedChemExpress. Available pack sizes: on request, 50mg, 1mg, 5mg, Get quote.
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 89130-86-9) is a chemical compound with the molecular formula C39H56O5 and a molecular weight of 604.9 g/mol. IUPAC name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: VOQSZICWRNPAMF-IUGYEWCASA-N.
| Molecular formula | C39H56O5 |
|---|---|
| Molecular weight | 604.9 g/mol |
| IUPAC name | [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChIKey | VOQSZICWRNPAMF-IUGYEWCASA-N |
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)CO |
Computed by PubChem (NCBI)