Nombre del analito

3beta-Hydroxychol-5-en-24-oic Acid Sulfate Disodium Salt

Número CAS

103404-56-4

Fórmula molecular

C24 H36 Na2 O6 S

Peso molecular

498.584

Masa exacta

498.203

SMILES

C[C@H](CCC(=O)O[Na])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O[Na]

InChI

InChI=1S/C24H38O6S.2Na/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;;/h5,15,17-21H,4,6-14H2,1-3H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2/t15-,17+,18+,19-,20+,21+,23+,24-;;/m1../s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat