Nazwa analitu

(3alpha,5beta,6alpha)-3,6-Dihydroxy-7-oxo-cholan-24-oic Acid

Numer CAS

88725-42-2

Wzór cząsteczkowy

C24 H38 O5

Masa cząsteczkowa

406.555

Dokładna masa

406.272

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4[C@@H](O)C3=O

InChI

InChI=1S/C24H38O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-21,25,28H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,23-,24-/m1/s1

IUPAC

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

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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