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CAS 69915-09-9: 1-Benzopyrylium, 3-[[6-O-[6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)

Formula:C43H49O23·Cl
InChI:InChI=1S/C43H48O23.ClH/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42;/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49);1H/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+;/m0./s1
InChI key:InChIKey=DJFIFVQDAVMXSM-JMWCUXORSA-N
SMILES:O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(OC)=C(O)C(O)=C4)[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](OC(/C=C/C7=CC=C(O)C=C7)=O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]
Synonyms:
  • 1-Benzopyrylium, 3-[[6-O-[6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-α-L-mannopyranosyl]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride
  • Petanin
  • 1-Benzopyrylium, 3-[[6-O-[6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-α-L-mannopyranosyl]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride, (E)-
  • 1-Benzopyrylium, 3-[[6-O-[6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
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