Analyte Name

2a-Methyl-5a-androstan-3a-ol-17-one glucuronide sodium salt

Molecular Formula

C26 H39 O8 Na

Molecular Weight

502.57283

Accurate Mass

502.2543

Flash Point

4

SMILES

[Na+].C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)C[C@@H]1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-]

InChI

InChI=1S/C26H40O8.Na/c1-12-11-26(3)13(4-5-14-15-6-7-18(27)25(15,2)9-8-16(14)26)10-17(12)33-24-21(30)19(28)20(29)22(34-24)23(31)32;/h12-17,19-22,24,28-30H,4-11H2,1-3H3,(H,31,32);/q;+1/p-1/t12-,13+,14+,15+,16+,17+,19+,20+,21-,22+,24-,25+,26+;/m1./s1

IUPAC

sodium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate

Alternate CAS Number

361432-78-2

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

AUSTRALIA

Tariff Code

29372900

Product Type

Second Source

Product Format

Neat