Carbacyclin-d4

Analyte Name

Carbacyclin-d4

Molecular Formula

C21H30D4O4

Molecular Weight

354.52

Accurate Mass

354.27

SMILES

CCCCC[C@H](O)/C=C/[C@@H]1[C@]2([H])[C@@](C[C@H]1O)([H])C/C(C2)=C\CC([2H])([2H])C([2H])([2H])C(O)=O

InChI

InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7+/t16-,17-,18+,19-,20+/m0/s1/i6D2,9D2

IUPAC

5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic-2,2,3,3-d4 acid

Unlabelled CAS Number

69552-46-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat