Analyte Name

(3beta)-3-[(Tetrahydro-2H-pyran-2-yl)oxy]-chol-5-en-24-oic Acid

CAS Number

72342-08-6

Molecular Formula

C29H46O4

Molecular Weight

458.67

Accurate Mass

458.3396

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC5CCCCO5

InChI

InChI=1S/C29H46O4/c1-19(7-12-26(30)31)23-10-11-24-22-9-8-20-18-21(33-27-6-4-5-17-32-27)13-15-28(20,2)25(22)14-16-29(23,24)3/h8,19,21-25,27H,4-7,9-18H2,1-3H3,(H,30,31)/t19-,21+,22+,23-,24+,25+,27?,28+,29-/m1/s1

IUPAC

(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat