3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid

CAS Registry Number®

124167-98-2
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CAS Name

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid

Molecular Formula

C27H28O16

Molecular Mass

608.50

Cite this Page

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124167-98-2 (retrieved 2024-09-19) (CAS RN: 124167-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)/t8-,15-,17+,18-,19+,20+,21+,24-,26-,27+/m0/s1

InChIKey

InChIKey=MKGZGCPBKPSTST-HUZJDZSOSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](C(O)=O)[C@H](O)[C@H](O)[C@H]3O)C2)C4=CC=C(O)C=C4)[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5

Canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C(OC4OC(C)C(O)C(O)C4O)=C(OC3=C2)C=5C=CC(O)=CC5)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranosiduronic acid, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
  • 3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-galactopyranosiduronic acid