4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside | CAS No. 105274-16-6

4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside

Basic Information

CAS Number

105274-16-6

Molecular Formula

C32H32O13

Molecular Weight

624.6 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

134-136°C

CC(=O)CCc1ccc(OC2OC(COC(=O)\C=C\c3ccc(O)cc3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1

InChI

InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+

InChIKey

QIEOAEKNEKYVTH-MDWZMJQESA-N

LogP

2.338300000000001

Topological Polar Surface Area

209.50999999999996 Ų

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

991

Synonyms & References

English

  • 4-(4'-hydroxyphenyl)-2-butanone 4'-O-beta-D-(2"-O-galloyl-6"-O-p-coumaroyl)glucopyranoside
  • O-[6-O-p-Hydroxycinnamoyl-2-O-galloyl-beta-D-glucopyranoside]-4-(4-Hydroxyphenyl)-2-butanone
  • 4-(4'-hydroxyphenyl)-2-butanone 4'-O-β-D-(2"-O-galloyl-6"-O-p-coumaroyl)glucopyranoside
  • 4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside
  • 4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside
  • 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside]
  • [4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

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