Analyte Name

7,7’-Nonane-1,9-diylbis[estra-1,3,5(10)-triene-3,17beta-diol] Tetraacetate

CAS Number

2483797-60-8

Molecular Formula

C53H72O8

Molecular Weight

837.13

Accurate Mass

836.52

SMILES

[H][C@]1([C@]2([H])CC[C@@]3(C)[C@@]1([H])CC[C@@H]3OC(C)=O)C(CCCCCCCCCC4CC(C=C(OC(C)=O)C=C5)=C5[C@]6([H])[C@]4([H])[C@@]7([H])[C@]([C@@H](OC(C)=O)CC7)(C)CC6)CC8=C2C=CC(OC(C)=O)=C8

InChI

InChI=1S/C53H72O8/c1-32(54)58-40-16-18-42-38(30-40)28-36(50-44(42)24-26-52(5)46(50)20-22-48(52)60-34(3)56)14-12-10-8-7-9-11-13-15-37-29-39-31-41(59-33(2)55)17-19-43(39)45-25-27-53(6)47(51(37)45)21-23-49(53)61-35(4)57/h16-19,30-31,36-37,44-51H,7-15,20-29H2,1-6H3/t36?,37?,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+/m1/s1

IUPAC

(8R,8'R,9S,9'S,13S,13'S,14S,14'S,17S,17'S)-nonane-1,9-diylbis(13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-7,3,17-triyl) tetraacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat