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

CAS Registry Number®

124097-45-6

CAS Name

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

Molecular Formula

C29H32O16

Molecular Mass

636.55

Cite this Page

3-[(6-O-Acetyl-β-D-galactopyranosyl)oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-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=124097-45-6 (retrieved 2024-11-22) (CAS RN: 124097-45-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19-,20-,22+,23-,24+,25+,28-,29-/m0/s1

InChIKey

InChIKey=GMYLPJSOUAYAGD-UGFNMZIJSA-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=C(O)C=C4)[C@@H]5O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC=2C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=CC5)C(O)C(O)C1O)C

Other Names for this Substance

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

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