N-[(7alpha,12alpha)-7,12-Dihydroxy-3,24-dioxochol-4-en-24-yl]glycine

Analyte Name

N-[(7alpha,12alpha)-7,12-Dihydroxy-3,24-dioxochol-4-en-24-yl]glycine

CAS Number

129944-49-6

Molecular Formula

C26 H39 N O6

Molecular Weight

461.591

Accurate Mass

461.278

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]3C[C@H](O)[C@]12C

InChI

InChI=1S/C26H39NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h10,14,17-21,24,29-30H,4-9,11-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

IUPAC

2-[[(4R)-4-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-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