Analyte Name

2-Phenyl alpha-Cortolone 1,3-Dioxane

Molecular Formula

C28H38O5

Molecular Weight

454.6

Accurate Mass

454.27

SMILES

OC1CC[C@@]2(C)[C@@](CC[C@]([C@@](CC[C@]34[C@H](O)COC(C5=CC=CC=C5)O4)([H])[C@]3(C)C6)([H])[C@]2([H])C6=O)([H])C1

InChI

InChI=1S/C28H38O5/c1-26-12-10-19(29)14-18(26)8-9-20-21-11-13-28(27(21,2)15-22(30)24(20)26)23(31)16-32-25(33-28)17-6-4-3-5-7-17/h3-7,18-21,23-25,29,31H,8-16H2,1-2H3/t18-,19?,20+,21+,23-,24-,25?,26+,27+,28+/m1/s1

IUPAC

(5R,5'R,8S,9S,10S,13S,14S,17R)-3,5'-dihydroxy-10,13-dimethyl-2'-phenyltetradecahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxan]-11(1H)-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat