3-[[2,3-Di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS Registry Number®

128941-61-7
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CAS Name

3-[[2,3-Di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula

C34H30O14

Molecular Mass

662.59

Cite this Page

3-[[2,3-Di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-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=128941-61-7 (retrieved 2024-09-19) (CAS RN: 128941-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/t16-,29-,32+,33+,34-/m0/s1

InChIKey

InChIKey=NEYRFFHYUHAXKD-GLPGTFRQSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C=CC5=CC=C(O)C=C5)=O)[C@H](C)O4

Canonical SMILES

O=C(OC1C(OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(OC(=O)C)C1OC(=O)C)C)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[2,3-di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4′-ester with 3-[(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-[[2,3-di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[2,3-Di-O-acetyl-6-deoxy-4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one