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limonin 17-beta-D-glucoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_16063

Term info

Label

limonin 17-beta-D-glucoside

Synonyms
  • (3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid
  • Limonin 17-beta-D-glucoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid [ IUPAC ]

charge

0

formula

C32H42O14

has alternative id

CHEBI:24283, CHEBI:5419, CHEBI:14315

has obo namespace

chebi_ontology

has related synonym

Glucosyl-limonin, Limonin 17-beta-D-glucopyranoside, beta-D-glucosyl-limonin

id

CHEBI:16063

inchi

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

inchikey

FYIKIBQJAJRKQM-WNCNYDOCSA-N

mass

650.66748

monoisotopicmass

650.25746

smiles

[H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]4(O[C@@H]4C(O)=O)[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2