Nazwa analitu

(3alpha,5beta)-6-Eethylidene-3-hydroxy-7-oxocholan-24-oic Acid

Numer CAS

915038-24-3

Wzór cząsteczkowy

C26 H40 O4

Masa cząsteczkowa

416.593

Dokładna masa

416.293

SMILES

C\C=C/1\[C@@H]2C[C@H](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/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5-/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1

IUPAC

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

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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