sodium 9-{[(2E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxy}nonanoate

CAS: 116182-44-6

Formula: C26H43NaO9

SMILES: [Na+].[H][C@]12CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@]1([H])O[C@]([H])([C@@H](C)[C@H](C)O)[C@@H](O)C2

IUPAC: sodium 9-{[(2E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxy}nonanoate

InChI: InChI=1S/C26H44O9.Na/c1-16(13-23(31)33-11-9-7-5-4-6-8-10-22(29)30)12-21-24(32)26-19(15-34-21)14-20(28)25(35-26)17(2)18(3)27;/h13,17-21,24-28,32H,4-12,14-15H2,1-3H3,(H,29,30);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21-,24-,25+,26+;/m0./s1

Composition: C (59.75%), H (8.29%), Na (4.40%), O (27.55%)

Molar Mass: 522.611

Atom Count: 79

Heavy Atom Count: 36