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Substance Name: 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride
RN: 83327-53-1
InChIKey: QDVZZZBBPRFPDG-WVTWYPAHSA-N

Molecular Weight

  • 646.979
 
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Names and Synonyms

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-galactopyranosyloxy)-7-hydroxy-, chloride

Registry Numbers

CAS Registry Number

  • 83327-53-1

System Generated Number

  • 0083327531

Structure Descriptors

InChI

1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19+,20+,21+,22+,23-,24-,26-,27-;/m1./s1

InChIKey

QDVZZZBBPRFPDG-WVTWYPAHSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)c1cc(c(cc1)O)O.[ClH-]