1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-Acetoxy-2-(N-(2-(formyloxy)ethyl)formamido)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium Bromide

Analyte Name

1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-Acetoxy-2-(N-(2-(formyloxy)ethyl)formamido)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium Bromide

Molecular Formula

C32H51BrN2O6

Molecular Weight

639.66

Accurate Mass

638.29

SMILES

O[C@@H]1[C@@H](N(C([H])=O)CCOC([H])=O)C[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])C[C@H]([N+]5(CC=C)CCCC5)[C@@H]4OC(C)=O)([H])C1.[Br-]

InChI

InChI=1S/C32H51N2O6.BrH/c1-5-13-34(14-6-7-15-34)28-18-26-24-9-8-23-17-29(38)27(33(20-35)12-16-39-21-36)19-32(23,4)25(24)10-11-31(26,3)30(28)40-22(2)37;/h5,20-21,23-30,38H,1,6-19H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat