Nombre del analito

(5beta,6alpha)-6-Ethyl-3,7-dioxo-cholan-24-oic Acid

Número CAS

1834605-28-5

Fórmula molecular

C26H40O4

Peso molecular

416.59

Masa exacta

416.2927

SMILES

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

InChI

InChI=1S/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15,17-21,23H,5-14H2,1-4H3,(H,28,29)/t15-,17-,18-,19+,20+,21+,23+,25-,26-/m1/s1

IUPAC

(4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat