PhytoHub: Showing entry for Limonin (17-beta-D-glucoside-)

Limonin (17-beta-D-glucoside-)

Identification

PhytoHub ID

PHUB000173

Name

Limonin (17-beta-D-glucoside-)

Synonyms

Glucosyl-limonin

CAS Number

Not Available

Average Mass

650.674

Monoisotopic Mass

650.257456032

Chemical Formula

C₃₂H₄₂O₁₄

IUPAC Name

limonin 17-β-D-glucopyranoside

InChI Key

FYIKIBQJAJRKQM-WNCNYDOCSA-N

InChI Identifier

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-/m1/s1

SMILES

[H][[email protected]]12CC(=O)OC[[email protected]@]11[[email protected]@]([H])(CC(=O)[[email protected]]3(C)[[email protected]]1([H])CC[[email protected]@](C)([[email protected]@H](O[[email protected]@H]1O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]1O)C1=COC=C1)[[email protected]@]31O[[email protected]@H]1C(O)=O)C(C)(C)O2

Structure