Nombre del analito

(3beta,5alpha)5,8-[N,N-(4-Phenylurazole)]-cholest-6,22-diene-3,25-diol-d6

Fórmula molecular

C36H43D6N3O4

Peso molecular

593.83

Masa exacta

593.41

SMILES

O[C@H]1CC[C@]2(C)[C@](C=C[C@@]34[C@@]2([H])CC[C@@]5(C)[C@@]3([H])CC[C@]5([H])[C@@H](/C=C/[C@H](C)C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C)(N6C(N(C7=CC=CC=C7)C(N64)=O)=O)C1

InChI

InChI=1S/C36H49N3O4/c1-23(12-13-24(2)32(3,4)43)27-14-15-28-33(27,5)18-17-29-34(6)19-16-26(40)22-35(34)20-21-36(28,29)39-31(42)37(30(41)38(35)39)25-10-8-7-9-11-25/h7-13,20-21,23-24,26-29,40,43H,14-19,22H2,1-6H3/b13-12+/t23-,24+,26+,27-,28-,29+,33-,34+,35-,36+/m1/s1/i3D3,4D3

IUPAC

(2S,4aS,4bS,6aR,7R,9aR,9bS,14aS)-2-hydroxy-7-((2R,5S,E)-6-hydroxy-5-methyl-6-(methyl-d3)hept-3-en-2-yl-7,7,7-d3)-4a,6a-dimethyl-12-phenyl-2,3,4,4a,4b,5,6,6a,7,8,9,9a-dodecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-11,13(12H)-dione

Número CAS sin etiquetar

156256-69-8

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Stable Isotope Labelled

Formato del producto

Neat