Cas no 155179-22-9 (a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate])

a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] structure
155179-22-9 structure
Product Name:a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
CAS No:155179-22-9
MF:C51H50O21
MW:998.93011713028
CID:205761
PubChem ID:6449878
Update Time:2025-04-19

a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] Chemical and Physical Properties

Names and Identifiers

    • a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]
    • [(2R,3R,4S,5R)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4
    • a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofura...
    • a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hy
    • 1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-D-fructofuran
    • alpha-D-Glucopyranoside, 1,3,6-tris-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 2-acetate 6-((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
    • alpha-D-Glucopyranoside, 1,3,6-tris-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-fructofuranosyl, 2-acetate 6-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (1(1(E),3(E),6(E)),6(E))-
    • Vanicoside A
    • [(2R,3R,4S,5R)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    • 155179-22-9
    • Inchi： 1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51-/m1/s1
    • InChI Key： RNXDQKHOEWIRNH-FBMBONOOSA-N
    • SMILES： O1[C@H](COC(/C=C/C2C=CC(=CC=2)O)=O)[C@H]([C@@H]([C@@]1(COC(/C=C/C1C=CC(=CC=1)O)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(/C=C/C2C=CC(=C(C=2)OC)O)=O)O1)O)O)OC(C)=O)OC(/C=C/C1C=CC(=CC=1)O)=O)O

Computed Properties

  • Exact Mass: 998.284459
  • Monoisotopic Mass: 998.284459
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 24
  • Complexity: 1900
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 310
  • XLogP3: 4.2

Experimental Properties

  • Density: 1.51
  • Boiling Point: 1155.8°Cat760mmHg
  • Flash Point: 332.6°C
  • Refractive Index: 1.678

a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
MedChemExpress
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 155179-22-9 99.40%
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 ￥3400 2024-07-19
MedChemExpress
HY-N11003-5mg
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 155179-22-9 99.40%
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 ￥8700 2024-07-19

a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] Related Literature

Related Categories

155179-22-9 (a-D-Glucopyranoside,1,3,6-tris-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-fructofuranosyl, 2-acetate6-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate]) Related Products

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