(3Alpha,5Beta)-3-[(Ethoxycarbonyl)oxy]chol-6-en-24-oic Acid Methyl Ester

Analyte Name

(3alpha,5beta)-3-[(Ethoxycarbonyl)oxy]chol-6-en-24-oic Acid Methyl Ester

CAS Number

61252-26-4

Molecular Formula

C28H44O5

Molecular Weight

460.65

Accurate Mass

460.3189

SMILES

CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C=C[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)CC[C@H]23

InChI

InChI=1S/C28H44O5/c1-6-32-26(30)33-20-13-15-27(3)19(17-20)8-9-21-23-11-10-22(18(2)7-12-25(29)31-5)28(23,4)16-14-24(21)27/h8-9,18-24H,6-7,10-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1

IUPAC

methyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-ethoxycarbonyloxy-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat