Analyte Name

(S)-2-[1,3-dihydro-4,6-dihydroxy-1-oxo-5-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-2H-isoindol-2-yl]-Pentanedioic acid

CAS Number

1295504-61-8

Molecular Formula

C28 H37 N O7

Molecular Weight

499.596

Accurate Mass

499.257

SMILES

CC(=CCC\C(=C\CC\C(=C/Cc1c(O)cc2C(=O)N(Cc2c1O)[C@@H](CCC(=O)O)C(=O)O)\C)\C)C

InChI

InChI=1S/C28H37NO7/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-24(30)15-21-22(26(20)33)16-29(27(21)34)23(28(35)36)13-14-25(31)32/h7,9,11,15,23,30,33H,5-6,8,10,12-14,16H2,1-4H3,(H,31,32)(H,35,36)/b18-9+,19-11-/t23-/m0/s1

IUPAC

(2S)-2-[5,7-dihydroxy-3-oxo-6-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat