Analyte Name

(3alpha)-3-[(4-Nitrobenzoyl)oxy]pregn-4-en-20-one

CAS Number

1185296-28-9

Molecular Formula

C28 H35 N O5

Molecular Weight

465.581

Accurate Mass

465.252

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(cc5)N(=O)=O

InChI

InChI=1S/C28H35NO5/c1-17(30)23-10-11-24-22-9-6-19-16-21(12-14-27(19,2)25(22)13-15-28(23,24)3)34-26(31)18-4-7-20(8-5-18)29(32)33/h4-5,7-8,16,21-25H,6,9-15H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-/m1/s1

IUPAC

[(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat