Analyte Name

Cholestane, beta-D-Glucopyranosiduronic Acid Derivative

CAS Number

154506-65-7

Molecular Formula

C33H56O11

Molecular Weight

628.79

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)CC(C)(C)O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]5(C)[C@](C1)(C[C@H](O)CC5)[H])[H])[H])[H]

InChI

InChI=1S/C33H56O11/c1-15(10-18(14-31(2,3)42)43-30-27(39)25(37)26(38)28(44-30)29(40)41)19-6-7-20-24-21(13-23(36)33(19,20)5)32(4)9-8-17(34)11-16(32)12-22(24)35/h15-28,30,34-39,42H,6-14H2,1-5H3,(H,40,41)/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,25+,26+,27-,28+,30-,32+,33-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(6R)-2-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-4-yl]oxyoxane-2-carboxylic acid

Country of Origin

CANADA

Product Format

Neat