Analyte Name

3,20-Disemicarbazone-11beta,17,21-trihydroxy-pregna-1,4-diene-3,20-dione

CAS Number

97830-94-9

Molecular Formula

C23H34N6O5

Molecular Weight

474.55

Accurate Mass

474.26

SMILES

C[C@@]12C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@]4(O)/C(CO)=N\NC(N)=O)=C/C(C=C1)=N/NC(N)=O

InChI

InChI=1S/C23H34N6O5/c1-21-7-5-13(26-28-19(24)32)9-12(21)3-4-14-15-6-8-23(34,17(11-30)27-29-20(25)33)22(15,2)10-16(31)18(14)21/h5,7,9,14-16,18,30-31,34H,3-4,6,8,10-11H2,1-2H3,(H3,24,28,32)(H3,25,29,33)/b26-13+,27-17-/t14-,15-,16-,18+,21-,22-,23-/m0/s1

IUPAC

(Z)-2-(1-((8S,9S,10R,11S,13S,14S,17R,E)-3-(2-carbamoylhydrazineylidene)-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethylidene)hydrazine-1-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat