Analyte Name

Prednicarbate-11-Propanoate

Molecular Formula

C30H40O9

Molecular Weight

544.6

Accurate Mass

544.27

SMILES

O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](OC(CC)=O)C[C@@]4(C)[C@@]3([H])CC[C@]4(OC(OCC)=O)C(COC(CC)=O)=O)=C1

InChI

InChI=1S/C30H40O9/c1-6-24(33)37-17-23(32)30(39-27(35)36-8-3)14-12-21-20-10-9-18-15-19(31)11-13-28(18,4)26(20)22(16-29(21,30)5)38-25(34)7-2/h11,13,15,20-22,26H,6-10,12,14,16-17H2,1-5H3/t20-,21-,22-,26+,28-,29-,30-/m0/s1

IUPAC

2-((8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-10,13-dimethyl-3-oxo-11-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl propionate

Country of Origin

CANADA

Product Format

Neat