Analyte Name

Trichodesmine-D4

Molecular Formula

C18 D4 H23 N O6

Molecular Weight

357.435

Accurate Mass

357.209

SMILES

[2H]C1([2H])OC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C(C)C)C(=O)OC2CCN3[C@@H]2C1=CC3([2H])[2H]

InChI

InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17+,18-/m0/s1/i7D2,9D2

IUPAC

(4R,5R,6R,16R)-9,9,12,12-tetradeuterio-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

Unlabelled CAS Number

548-90-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat