Analyte Name

6,7-O-Isopropylidenepseudomonic Acid C Potassium Salt

CAS Number

1695541-94-6

Molecular Formula

C29 H47 K O8

Molecular Weight

562.777

Accurate Mass

562.291

SMILES

C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H](C\C(=C\C(=O)OCCCCCCCCC(=O)O[K])\C)[C@@H]2OC(C)(C)O[C@H]12

InChI

InChI=1S/C29H48O8.K/c1-20(18-26(33)34-16-11-9-7-6-8-10-15-25(31)32)17-24-28-27(36-29(4,5)37-28)23(19-35-24)14-12-13-21(2)22(3)30;/h12-13,18,21-24,27-28,30H,6-11,14-17,19H2,1-5H3,(H,31,32);/q;+1/p-1/b13-12+,20-18+;/t21-,22+,23+,24+,27-,28+;/m1./s1

IUPAC

9-[(E)-4-[(3aS,4S,7S,7aR)-7-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-methylbut-2-enoyl]oxynonanoyloxypotassium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat