Nazwa analitu

25-Hydroxy-cholesterol 3-Sulfate Ester Sodium Salt-d6

Wzór cząsteczkowy

C27 D6 H39 Na O5 S

Masa cząsteczkowa

510.735

Dokładna masa

510.326

SMILES

[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[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])C([2H])([2H])[2H]

InChI

InChI=1S/C27H46O5S.Na/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5;/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31);/q;+1/p-1/t18-,20+,21+,22-,23+,24+,26+,27-;/m1./s1/i2D3,3D3;

IUPAC

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium

Nieoznakowany numer CAS

1174047-40-5

Typ SIL

Deuterium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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