Analyte Name

Paricalcitol mono acetate

CAS Number

1023889-30-6

Molecular Formula

C29H46O4

Molecular Weight

458.68

SMILES

C[C@@]12[C@](CC[C@]2([H])[C@H](C)/C=C/[C@H](C)C(C)(O)C)([H])/C(CCC1)=C/C=C3C[C@H](C[C@@H](C\3)O)OC(C)=O

InChI

InChI=1S/C29H46O4/c1-19(9-10-20(2)28(4,5)32)26-13-14-27-23(8-7-15-29(26,27)6)12-11-22-16-24(31)18-25(17-22)33-21(3)30/h9-12,19-20,24-27,31-32H,7-8,13-18H2,1-6H3/b10-9+,22-11-,23-12+/t19-,20+,24-,25-,26-,27+,29-/m1/s1

IUPAC

(1R,3R,Z)-3-hydroxy-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)cyclohexyl acetate

Country of Origin

CANADA

Product Format

Neat