Megestrol Acetate 6-Hydroxymethyl Glucuronide

Analyte Name

Megestrol Acetate 6-Hydroxymethyl Glucuronide

Molecular Formula

C30 H42 O11

Molecular Weight

578.648

Accurate Mass

578.273

SMILES

CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(CO[C@@H]4O[C@@H]([C@@H](O)C(O)C4O)C(=O)O)C5=CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C)C(=O)C

InChI

InChI=1S/C30H42O11/c1-14(31)30(41-15(2)32)10-7-20-18-11-16(13-39-27-24(36)22(34)23(35)25(40-27)26(37)38)21-12-17(33)5-8-28(21,3)19(18)6-9-29(20,30)4/h12,16,18-20,22-25,27,34-36H,5-11,13H2,1-4H3,(H,37,38)/t16?,18-,19+,20+,22?,23+,24?,25+,27-,28-,29+,30+/m1/s1

IUPAC

(2S,3S,6R)-6-[[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat