5Alpha,6Beta-Dibromostigmastan-3Beta-yl 3-Acetate

Analyte Name

5alpha,6beta-Dibromostigmastan-3beta-yl 3-Acetate

CAS Number

32212-73-0

Molecular Formula

C₃₁H₅₀Br₂O₂

Molecular Weight

614.54

Accurate Mass

612.22

SMILES

[H][C@@]1([C@H](C)/C=C/[C@@H](CC)C(C)C)[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])CC1)([H])C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@@]43C

InChI

InChI=1S/C31H50Br2O2/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-24-17-28(32)31(33)18-23(35-21(5)34)13-16-30(31,7)27(24)14-15-29(25,26)6/h9-10,19-20,22-28H,8,11-18H2,1-7H3/b10-9+/t20-,22-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1

IUPAC

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat