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CHEBI:40620 - (2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol

ChEBI IDCHEBI:40620
ChEBI Name(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
Stars
ASCII Name(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
Last Modified17 October 2009
DownloadsMolfile
FormulaC28H31NO4S
Net Charge0
Average Mass477.626
Monoisotopic Mass477.19738
SMILES[H]Oc1c([H])c([H])c([C@@]2([H])Sc3c([H])c(O[H])c([H])c([H])c3O[C@@]2([H])c2c([H])c([H])c(OC([H])([H])C([H])([H])N3C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C3([H])[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C28H31NO4S/c1-18-16-29(17-19(18)2)13-14-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19-,27+,28-/m1/s1
InChIKeyCOJFASLRENZFLP-FNZLKOBSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol (CHEBI:40620) is a N-alkylpyrrolidine (CHEBI:46775)
(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol (CHEBI:40620) is a benzoxathiin (CHEBI:46671)
Synonyms  Source
(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OLPDBeChem
(2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-olPDBeChem
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