Products 123564-64-7
CAS 123564-64-7 is the registry number for Obacunone 17-O-glucoside. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid (CAS 123564-64-7) is a chemical compound with the molecular formula C32H42O13 and a molecular weight of 634.7 g/mol. IUPAC name: (2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid. InChIKey: MXZVBPOYCKIXHN-FNBRAXOMSA-N.
| Molecular formula | C32H42O13 |
|---|---|
| Molecular weight | 634.7 g/mol |
| IUPAC name | (2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid |
| InChIKey | MXZVBPOYCKIXHN-FNBRAXOMSA-N |
| SMILES | C[C@]1(CC[C@@H]2[C@]3(C=CC(=O)OC([C@@H]3CC(=O)[C@]2([C@@]14[C@@H](O4)C(=O)O)C)(C)C)C)[C@H](C5=COC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
Obacunone 17-O-glucoside