Analyte Name

Phorbol 12,13-dibutyrate-D14

Molecular Formula

C28 H26 D14 O8

Molecular Weight

518.71

Accurate Mass

518.36

SMILES

O=C1C(C)=C[C@]2([C@@]3([C@@]([H])(C=C(C[C@@]21O)CO)C([C@]4([C@@H]([C@H]3C)OC(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])=O)OC(C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])=O)C4(C)C)O)[H]

InChI

InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1/i1D3,2D3,7D2,8D2,9D2,10D2

IUPAC

(1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl bis(butanoate-d7)

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat