11Alpha,17Alpha,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal

Analyte Name

11alpha,17alpha,21-Trihydroxy-pregn-5-ene-3,20-dione 3,20-Diethylene Ketal

CAS Number

102030-55-7

Molecular Formula

C25H38O7

Molecular Weight

450.57

Accurate Mass

450.2618

SMILES

C[C@]12CCC3(CC1=CC[C@H]4[C@H]5CC[C@](O)([C@@]5(C)C[C@@H](O)[C@@H]24)C6(CO)OCCO6)OCCO3

InChI

InChI=1S/C25H38O7/c1-21-7-8-23(29-9-10-30-23)13-16(21)3-4-17-18-5-6-24(28,25(15-26)31-11-12-32-25)22(18,2)14-19(27)20(17)21/h3,17-20,26-28H,4-15H2,1-2H3/t17-,18+,19+,20-,21-,22-,24-/m0/s1

IUPAC

(8'S,9'R,10'R,11'R,13'S,14'R,17'S)-17'-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11',17'-diol

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat