21-Desmethyl (17Beta)-21-Hydroxy-4–chloro-17-methyl-18-norpregna-4,13-dien-3-one

Analyte Name

21-Desmethyl (17beta)-21-Hydroxy-4–chloro-17-methyl-18-norpregna-4,13-dien-3-one

CAS Number

2503144-94-1

Molecular Formula

C₂₀H₂₇ClO₂

Molecular Weight

334.88

Accurate Mass

334.17

SMILES

[H][C@@]12CCC3=C(Cl)C(CC[C@]3(C)[C@@]1([H])CCC4=C2CC[C@]4(C)CO)=O

InChI

InChI=1S/C20H27ClO2/c1-19(11-22)9-7-13-12-3-4-16-18(21)17(23)8-10-20(16,2)15(12)6-5-14(13)19/h12,15,22H,3-11H2,1-2H3/t12-,15-,19?,20?/m0/s1

IUPAC

(8R,9S,10R,17S)-4-chloro-17-(hydroxymethyl)-10,17-dimethyl-1,2,6,7,8,9,10,11,12,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Alternate CAS Number

Parent compound: 2503144-99-6

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat