Nombre del analito

(3alpha,5beta,6beta,7beta)-3-[(Ethoxycarbonyl)oxy]-6,7-dihydroxy-cholan-24-oic Acid Methyl Ester

Número CAS

125112-78-9

Fórmula molecular

C28 H46 O7

Peso molecular

494.661

Masa exacta

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat