Analyte Name

alpha-Ecdysone-d3

Molecular Formula

C27H41D3O6

Molecular Weight

467.65

Accurate Mass

467.33

SMILES

O[C@@H]1[C@@H](C[C@]([H])([C@@]2(C1)C)C(C=C3[C@@]2(CC[C@]4([C@]3(CC[C@@]4([C@H](C)[C@@H](CCC(C([2H])([2H])[2H])(C)O)O)[H])O)C)[H])=O)O

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1/i2D3/t15-,16+,17-,19-,20+,22+,23-,24?,25+,26+,27+

IUPAC

(2S,3R,5R,9R,10R,13R,14S,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1S,2R)-6,6,6-trideuterio-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Unlabelled CAS Number

3604-87-3

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat