Tetrahydro Cortisone-d5

Analyte Name

Tetrahydro Cortisone-d5

CAS Number

1485501-48-1

Molecular Formula

C21 D5 H27 O5

Molecular Weight

369.51

Accurate Mass

369.2564

SMILES

[2H]C([2H])(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3([2H])C(=O)C([2H])([2H])[C@]12C

InChI

InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1/i10D2,11D2,18D

IUPAC

(3R,5R,8S,9S,10S,13S,14S,17R)-9,12,12-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one

Unlabelled CAS Number

53-05-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat