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CHEBI:176234 - Stigmasteryl glucoside

ChEBI IDCHEBI:176234
ChEBI NameStigmasteryl glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O6
Net Charge0
Average Mass574.843
Monoisotopic Mass574.42334
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/[C@@H](CC)C(C)C
InChIInChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1
InChIKeyVWDLOXMZIGUBKM-PLWLBJPKSA-N
ChEBI Ontology
Outgoing Relation(s)
Stigmasteryl glucoside (CHEBI:176234) has parent hydride stigmastane (CHEBI:26773)
Stigmasteryl glucoside (CHEBI:176234) is a steroid (CHEBI:35341)
IUPAC Name 
(2R,5S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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