Products 171864-20-3
CAS 171864-20-3 is the registry number for 3-O-Coumaroylarjunolic acid. Offered by: MedChemExpress. Available pack sizes: Get quote.
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid (CAS 171864-20-3) is a chemical compound with the molecular formula C39H54O7 and a molecular weight of 634.8 g/mol. IUPAC name: (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. InChIKey: ZDHQMVKMQGQHJQ-YTYGKHDWSA-N.
| Molecular formula | C39H54O7 |
|---|---|
| Molecular weight | 634.8 g/mol |
| IUPAC name | (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChIKey | ZDHQMVKMQGQHJQ-YTYGKHDWSA-N |
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)OC(=O)/C=C/C6=CC=C(C=C6)O)O)C |
Computed by PubChem (NCBI)
Synonyms:
3-O-Coumaroylarjunolic acid, orb1683576