Analyte Name

17,21-Dihydroxy-16beta-methyl-pregna-1,4,9(11)-triene-3,20-dione 21-phosphate Ester

Molecular Formula

C22H29O7P • 2Na

Molecular Weight

482.42

Accurate Mass

482.15

SMILES

O=C1C=C[C@@]2(C3=CC[C@@]4([C@](O)([C@H](C[C@]4([C@@]3(CCC2=C1)[H])[H])C)C(COP(O)(O)=O)=O)C)C.[Na].[Na]

InChI

InChI=1S/C22H29O7P.2Na/c1-13-10-18-16-5-4-14-11-15(23)6-8-20(14,2)17(16)7-9-21(18,3)22(13,25)19(24)12-29-30(26,27)28;;/h6-8,11,13,16,18,25H,4-5,9-10,12H2,1-3H3,(H2,26,27,28);;/t13-,16+,18-,20-,21-,22-;;/m0../s1

IUPAC

2-((8S,10S,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl dihydrogen phosphate

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat