Obacunone 17-O-glucoside

cas: 123564-64-7 — see every product listed under this CAS number, including other names

Obacunone 17-O-glucoside (CAS 123564-64-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas123564-64-7
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Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC32H42O13
Molecular weight634.7 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
InChIKeyMXZVBPOYCKIXHN-FNBRAXOMSA-N
SMILESC[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

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