Analyte Name

N-[(7alpha)-7-Hydroxy-3,24-dioxochol-4-en-24-yl]glycine

CAS Number

117590-83-7

Molecular Formula

C26 H39 N O5

Molecular Weight

445.592

Accurate Mass

445.283

SMILES

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C26H39NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h12,15,18-21,24,29H,4-11,13-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,18-,19+,20+,21-,24+,25+,26-/m1/s1

IUPAC

2-[[(4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat