Analyte Name

(2E)-(3-Hydroxyestra-1,3,5(10)-trien-17-ylidene)hydrazide 4-Methyl-benzenesulfonic Acid

CAS Number

1879101-53-7

Molecular Formula

C25 H30 N2 O3 S

Molecular Weight

438.582

Accurate Mass

438.198

SMILES

Cc1ccc(cc1)S(=O)(=O)N\N=C\2/CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C

InChI

InChI=1S/C25H30N2O3S/c1-16-3-7-19(8-4-16)31(29,30)27-26-24-12-11-23-22-9-5-17-15-18(28)6-10-20(17)21(22)13-14-25(23,24)2/h3-4,6-8,10,15,21-23,27-28H,5,9,11-14H2,1-2H3/b26-24+/t21-,22-,23+,25+/m1/s1

IUPAC

N-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]-4-methylbenzenesulfonamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat