Analyte Name

16alpha,17-[(1RS)-Butylidenebis(oxy)]-11beta,21-dihydroxypregna-1,4-diene-3,20-dione 21-Acetate

CAS Number

51333-05-2

Molecular Formula

C27 H36 O7

Molecular Weight

472.57

Accurate Mass

472.2461

SMILES

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C

InChI

InChI=1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1

IUPAC

[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate  

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA