26-Deoxymonensin A Sodium Salt

Analyte Name

26-Deoxymonensin A Sodium Salt

Molecular Formula

C36 H61 O10 . Na

Molecular Weight

676.85

Accurate Mass

676.4162

SMILES

[Na+].CC[C@]1(CC[C@@H](O1)[C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O2)[C@@H]4O[C@H](C[C@@H]4C)[C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C

InChI

InChI=1S/C36H62O10.Na/c1-11-35(31-20(3)17-26(42-31)28-19(2)16-21(4)34(9,40)44-28)13-12-27(43-35)33(8)14-15-36(46-33)18-25(37)22(5)30(45-36)23(6)29(41-10)24(7)32(38)39;/h19-31,37,40H,11-18H2,1-10H3,(H,38,39);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35-,36?;/m0./s1

IUPAC

sodium;(2S,3R,4S)-4-[(2S,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat