Nombre del analito

Pregnanediol 2-Ethyl 3alpha-O-beta-D-Glucuronide

Fórmula molecular

C31 H50 O9

Peso molecular

566.723

Masa exacta

566.345

SMILES

CCOC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC[C@H]([C@H](C)OC(=O)C)[C@@]5(C)CC[C@H]34)C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C31H50O9/c1-6-37-28(36)27-25(34)24(33)26(35)29(40-27)39-19-11-13-30(4)18(15-19)7-8-20-22-10-9-21(16(2)38-17(3)32)31(22,5)14-12-23(20)30/h16,18-27,29,33-35H,6-15H2,1-5H3/t16-,18+,19+,20-,21+,22-,23-,24-,25-,26+,27-,29+,30-,31+/m0/s1

IUPAC

ethyl (2S,3S,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat