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

Limonin (17-beta-D-glucoside-)

Identification

PhytoHub ID

PHUB000173

Name

Limonin (17-beta-D-glucoside-)

Systematic Name

Not Available

Synonyms

Glucosyl-limonin

CAS Number

Not Available

Average Mass

650.674

Monoisotopic Mass

650.257456032

Chemical Formula

C₃₂H₄₂O₁₄

IUPAC Name

(1'R,2R,2'R,3S,5'S,7'R,10'R,13'S)-5'-[(S)-(furan-3-yl)({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadecane]-3-carboxylic acid

InChI Key

FYIKIBQJAJRKQM-IHWASPKPNA-N

InChI Identifier

InChI=1/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-/s2

SMILES

CC1(C)O[[email protected]]2CC(=O)OC[[email protected]@]22[[email protected]]1CC(=O)[[email protected]]1(C)[[email protected]@H]2CC[[email protected]@](C)([[email protected]@H](O[[email protected]@H]2O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]2O)C2=COC=C2)[[email protected]@]11O[[email protected]@H]1C(O)=O

Structure