(3alpha,5beta,6beta,7beta)- 3-[(Ethoxycarbonyl)oxy]-6,7-dihydroxy-cholan-24-oic Acid Methyl Ester
Product Code
TRC-E891925-100MG
CAS Number
Product Format
Neat
Molecular Formula
C28 H46 O7
Molecular Weight
494.661
Product Categories
Product Information
Chemical Data
Analyte Name
(3alpha,5beta,6beta,7beta)-3-[(Ethoxycarbonyl)oxy]-6,7-dihydroxy-cholan-24-oic Acid Methyl Ester
CAS Number
125112-78-9
Molecular Formula
C28 H46 O7
Molecular Weight
494.661
Accurate Mass
494.324
SMILES
CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)[C@H](O)[C@H](O)C3[C@@H]4CC[C@H]([C@H](C)CCC(=O)OC)[C@@]4(C)CCC23
InChI
InChI=1S/C28H46O7/c1-6-34-26(32)35-17-11-13-28(4)20-12-14-27(3)18(16(2)7-10-22(29)33-5)8-9-19(27)23(20)25(31)24(30)21(28)15-17/h16-21,23-25,30-31H,6-15H2,1-5H3/t16-,17-,18-,19+,20?,21+,23?,24+,25-,27-,28-/m1/s1
IUPAC
methyl (4R)-4-[(3R,5R,6S,7R,10R,13R,14S,17R)-3-ethoxycarbonyloxy-6,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat