Limonin glucoside

Name: Limonin glucoside
CAS#: 123564-61-4
Chemical Formula: C32H42O14
Exact Mass: 650.2575
Molecular Weight: 650.67
Elemental Analysis: C, 59.07; H, 6.51; O, 34.42

Description: Limonin glucoside is found in citrus fruits. It induces apoptosis in colon adenocarcinoma cells, inhibits expression of HIV-1 and HTLV-1 in infected cells, and exhibits larvicidal activity against species of Aedes.

IUPAC/Chemical Name: (3'S,4aR,6aS,8aS,9S,10S,12aS,12bR)-10-((S)-furan-3-yl(((2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-1H,3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid

InChi Key: FYIKIBQJAJRKQM-BPHZWCSFSA-N

InChi Code: InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21+,22+,23+,24-,25+,27-,29-,30+,31+,32-/m0/s1

SMILES Code: OC[C@@H]1O[C@@H](O[C@H]([C@]2([C@]3([C@]4(C(C[C@@H]5C(C)(O[C@@H]6CC(OC[C@@]56[C@@H]4CC2)=O)C)=O)C)[C@H](O3)C(O)=O)C)c7ccoc7)[C@H](O)[C@H](O)[C@@H]1O

Appearance: Solid powder