Cinobufotalin-d3

Analyte Name

Cinobufotalin-d3

Molecular Formula

C26H31D3O7

Molecular Weight

461.57

Accurate Mass

461.25

SMILES

C[C@]12[C@@]3([C@@]4([H])[C@]([C@@]5([C@](CC4)(C[C@H](CC5)O)O)C)([H])CC2)[C@]([C@@H]([C@@H]1C(C=C6)=COC6=O)OC(C([2H])([2H])[2H])=O)([H])O3

InChI

InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1/i1D3

IUPAC

(1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate-d3

Unlabelled CAS Number

1108-68-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat