1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride

CAS Registry Number®

55028-57-4

CAS Name

1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride

Molecular Formula

C33H41O20.Cl

Cite this Page

1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55028-57-4 (retrieved 2024-11-24) (CAS RN: 55028-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O20.ClH/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11;/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38);1H/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,30+,31+,32?,33+;/m0./s1

InChIKey

InChIKey=VERNOHONRNVDRS-JMAQXXMASA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC5OC(CO)C(O)C(O)C5O)C(=[O+]C2C1)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride

CAS INSIGHTSTM
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