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Alphadolone 3-β-D-Glucuronide

Product Specifications

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC(=O)[C@H]23)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

Molecular Formula

C27 H40 O10

Molecular Weight

524.601

InChI

InChI=1S/C27H40O10/c1-26-8-7-13(36-25-22(33)20(31)21(32)23(37-25)24(34)35)9-12(26)3-4-14-15-5-6-16(18(30)11-28)27(15,2)10-17(29)19(14)26/h12-16,19-23,25,28,31-33H,3-11H2,1-2H3,(H,34,35)/t12-,13+,14-,15-,16+,19+,20-,21-,22+,23-,25+,26-,27-/m0/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid