Analyte Name

Fenretinide Glucuronide Monosodium Salt

CAS Number

76177-99-6

Molecular Formula

C32 H40 N Na O8

Molecular Weight

589.652

Accurate Mass

589.265

SMILES

C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O[Na])cc1)/C)\C=C\C3=C(C)CCCC3(C)C

InChI

InChI=1S/C32H41NO8.Na/c1-19(11-16-24-21(3)10-7-17-32(24,4)5)8-6-9-20(2)18-25(34)33-22-12-14-23(15-13-22)40-31-28(37)26(35)27(36)29(41-31)30(38)39;/h6,8-9,11-16,18,26-29,31,35-37H,7,10,17H2,1-5H3,(H,33,34)(H,38,39);/q;+1/p-1/b9-6+,16-11+,19-8+,20-18+;/t26-,27-,28+,29-,31+;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-6-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat