Analyte Name

18-Hydroxycortisol (Hemiketal)-13C3

Molecular Formula

13C3 C18 H30 O6

Molecular Weight

381.43726

Accurate Mass

381.2143

SMILES

OC[C@]1(O)[C@@]2(O)CC[C@@]3([H])[C@]4([H])CCC5=[13C]([H])[13C]([13C]([H])([H])C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@@]32CO1)=O

InChI

InChI=1S/C21H30O6/c1-18-6-4-13(23)8-12(18)2-3-14-15-5-7-20(25)19(15,9-16(24)17(14)18)11-27-21(20,26)10-22/h8,14-17,22,24-26H,2-7,9-11H2,1H3/t14-,15-,16-,17+,18-,19+,20+,21+/m0/s1/i4+1,8+1,13+1

IUPAC

(1S,2S,5R,6R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-17-en-16-one

Unlabelled CAS Number

144302-17-0

SIL Type

Carbon

Country of Origin

CANADA

Product Format

Neat