Methylclostebol (1.0mg/ml in Acetonitrile)

Analyte Name

Methylclostebol

CAS Number

5785-58-0

Molecular Formula

C20 H29 Cl O2

Molecular Weight

336.90

Measured Value

1.0 mg/mL

Accurate Mass

336.1856

SMILES

C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1

IUPAC

(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile