Analyte Name

(±)-Panduratin A-d3

Molecular Formula

C26 D3 H27 O4

Molecular Weight

409.533

Accurate Mass

409.233

SMILES

[2H]C([2H])([2H])Oc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(=CC[C@H]2c3ccccc3)C)c(O)c1

InChI

InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1/i4D3

IUPAC

[2,6-dihydroxy-4-(trideuteriomethoxy)phenyl]-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone

Unlabelled CAS Number

89837-52-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat