Analyte Name

21-O-Valeryl 6alpha-Hydroxy Cortisol

Molecular Formula

C26H38O7

Molecular Weight

462.58

Accurate Mass

462.26

SMILES

O=C(COC(CCCC)=O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])C[C@H](O)C4=CC(CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@@]21C)=O

InChI

InChI=1S/C26H38O7/c1-4-5-6-22(31)33-14-21(30)26(32)10-8-17-16-12-19(28)18-11-15(27)7-9-24(18,2)23(16)20(29)13-25(17,26)3/h11,16-17,19-20,23,28-29,32H,4-10,12-14H2,1-3H3/t16-,17-,19-,20-,23+,24-,25-,26-/m0/s1

IUPAC

2-oxo-2-((6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat