Analyte Name

(17beta)-3,17-Bis[(tetrahydro-2H-pyran-2-yl)oxy]-estra-1,3,5(10)-trien-6-ol (Mixture of Diasteromers)

CAS Number

122566-22-7

Molecular Formula

C28H40O5

Molecular Weight

456.61

Accurate Mass

456.2876

SMILES

C[C@]12CC[C@H]3[C@@H](CC(O)c4cc(OC5CCCCO5)ccc34)[C@@H]1CC[C@@H]2OC6CCCCO6

InChI

InChI=1S/C28H40O5/c1-28-13-12-20-19-9-8-18(32-26-6-2-4-14-30-26)16-22(19)24(29)17-21(20)23(28)10-11-25(28)33-27-7-3-5-15-31-27/h8-9,16,20-21,23-27,29H,2-7,10-15,17H2,1H3/t20-,21-,23+,24?,25+,26?,27?,28+/m1/s1

IUPAC

(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-ol

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat