Analyte Name

21-Desacetyl 21-O-Iodometyl Deflazacort

Molecular Formula

C23H28INO5

Molecular Weight

539.41

Accurate Mass

539.12

SMILES

O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@]5([H])[C@@]4(C(COCI)=O)N=C(C)O5)=C1

InChI

InChI=1S/C24H30INO5/c1-13-26-24(19(29)11-30-12-25)20(31-13)9-17-16-5-4-14-8-15(27)6-7-22(14,2)21(16)18(28)10-23(17,24)3/h6-8,16-18,20-21,28H,4-5,9-12H2,1-3H3/t16-,17-,18-,20+,21+,22?,23?,24+/m0/s1

IUPAC

(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-8b-(2-(iodomethoxy)acetyl)-6a,8a,10-trimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-4-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat