Algestone Acetonide-d6

Analyte Name

Algestone Acetonide-d6

Molecular Formula

C24 D6 H28 O4

Molecular Weight

392.561

Accurate Mass

392.283

SMILES

[2H]C([2H])([2H])C1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O1)C(=O)C)C([2H])([2H])[2H]

InChI

InChI=1S/C24H34O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h12,17-20H,6-11,13H2,1-5H3/t17-,18+,19+,20-,22+,23+,24-/m1/s1/i2D3,3D3

IUPAC

(1R,2S,4R,8S,9S,12S,13R)-8-acetyl-9,13-dimethyl-6,6-bis(trideuteriomethyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat