Gypsogenin 3-O-glucuronide

cas: 105762-16-1 — see every product listed under this CAS number, including other names

Gypsogenin 3-O-glucuronide (CAS 105762-16-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas105762-16-1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[[(4S,4aR,6aR,6bS,8aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 105762-16-1) is a chemical compound with the molecular formula C36H54O10 and a molecular weight of 646.8 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[[(4S,4aR,6aR,6bS,8aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: NUSHOJSYOLRGAX-ZIPQOKDHSA-N.

Identity
Molecular formulaC36H54O10
Molecular weight646.8 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(4S,4aR,6aR,6bS,8aS,14aR,14bR)-8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyNUSHOJSYOLRGAX-ZIPQOKDHSA-N
SMILESC[C@]12CCC([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

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