Analyte Name

2-oxo-2-((6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-Trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl dihydrogen phosphate

Molecular Formula

C21 H29 O9 P

Molecular Weight

456.423

Accurate Mass

456.155

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O

InChI

InChI=1S/C21H29O9P/c1-19-5-3-11(22)7-14(19)15(23)8-12-13-4-6-21(26,17(25)10-30-31(27,28)29)20(13,2)9-16(24)18(12)19/h3,5,7,12-13,15-16,18,23-24,26H,4,6,8-10H2,1-2H3,(H2,27,28,29)/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat