5Alpha-Androst-1-ene-3Alpha,17Beta-diol 3-p-Nitrobenzyl Ether 17-Acetate

Analyte Name

5alpha-Androst-1-ene-3alpha,17beta-diol 3-p-Nitrobenzyl Ether 17-Acetate

Molecular Formula

C₂₈H₃₅NO₆

Molecular Weight

481.59

Accurate Mass

481.25

SMILES

[H][C@@]12CCC3C[C@H](OC(C4=CC=C([N+]([O-])=O)C=C4)=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])CCC5OC(C)=O

InChI

InChI=1S/C28H35NO6/c1-17(30)34-25-11-10-23-22-9-6-19-16-21(12-14-27(19,2)24(22)13-15-28(23,25)3)35-26(31)18-4-7-20(8-5-18)29(32)33/h4-5,7-8,12,14,19,21-25H,6,9-11,13,15-16H2,1-3H3/t19?,21-,22+,23+,24+,25?,27+,28+/m1/s1

IUPAC

(3S,8R,9S,10R,13S,14S)-17-acetoxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-yl 4-nitrobenzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat