Analyte Name

4-Methyl trans-Doxercalciferol

CAS Number

1818286-63-3

Molecular Formula

C28 H44 O2

Molecular Weight

412.648

Accurate Mass

412.334

SMILES

CC(C)[C@H](C)\C=C\C(C)C1CCC2C(=CCC[C@@]12C)\C=C/C3=C(C)[C@H](O)CC(O)C3

InChI

InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h8-12,18-20,24-27,29-30H,7,13-17H2,1-6H3/b10-9+,12-11-/t19-,20?,24?,25?,26?,27-,28+/m1/s1

IUPAC

(3R)-5-[(Z)-2-[(7aS)-1-[(E,5S)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat