3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

81970-00-5
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CAS Name

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

Molecular Formula

C33H40O20

Molecular Mass

756.66

Cite this Page

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81970-00-5 (retrieved 2024-09-06) (CAS RN: 81970-00-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H40O20/c1-9-19(37)23(41)26(44)31(48-9)47-8-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-15(36)6-12(50-32-27(45)24(42)20(38)10(2)49-32)7-16(18)51-29(30)11-3-4-13(34)14(35)5-11/h3-7,9-10,17,19-21,23-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1

InChIKey

InChIKey=BFCXCFJUDBNEMU-QPIZCGMOSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C2)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OC5OC(C)C(O)C(O)C5O)=CC(O)=C14)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
  • Clovin