3,3-Ethylenedioxy-11-Tetrahydropyran-2-yl-11Beta,21-Dihydroxy-6Alpha-methylpregna-1,4,17(20)-triene 21-Acetate
Product Code
TRC-T798213
Product Format
Neat
Molecular Formula
C31H44O6
Molecular Weight
512.68
Product Categories
Product Information
Chemical Data
Analyte Name
3,3-Ethylenedioxy-11-Tetrahydropyran-2-yl-11beta,21-Dihydroxy-6alpha-methylpregna-1,4,17(20)-triene 21-Acetate
Molecular Formula
C31H44O6
Molecular Weight
512.68
Accurate Mass
512.31
SMILES
C[C@]12C[C@H](OC3CCCCO3)[C@]4([H])[C@@]5(C)C=CC6(OCCO6)C=C5[C@@H](C)C[C@@]4([H])[C@]1([H])CC/C2=C\COC(C)=O
InChI
InChI=1S/C31H44O6/c1-20-17-23-24-9-8-22(10-14-33-21(2)32)30(24,4)19-26(37-27-7-5-6-13-34-27)28(23)29(3)11-12-31(18-25(20)29)35-15-16-36-31/h10-12,18,20,23-24,26-28H,5-9,13-17,19H2,1-4H3/b22-10+/t20-,23-,24-,26-,27?,28+,29-,30+/m0/s1
IUPAC
(E)-2-((6S,8S,9S,10R,11S,13S,14S)-6,10,13-trimethyl-11-((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(6H)-ylidene)ethyl acetate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat