Analyte Name

6alpha-Methyl Hydrocortisone-d4

Molecular Formula

C22 D4 H28 O5

Molecular Weight

380.511

Accurate Mass

380.25

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@H](C)C3=CC(=O)CC[C@@]23C)[C@@H]4CC[C@](O)(C(=O)CO)[C@@]14C

InChI

InChI=1S/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20+,21-,22-/m0/s1/i10D2,17D,19D

IUPAC

(6S,8S,9S,10S,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

1625-39-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat