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Home > Encyclopedia > Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate structure

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate 

structure
  • CAS No:

    1246012-25-8

  • Formula:

    C28H34O14

  • Chemical Name:

    Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

  • Synonyms:

    Cyclopenta[c]pyran-4-carboxylic acid,7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-,methyl ester,(1S,4aR,5R,7S,7aS)-;Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate;6-O-trans-Cinnamoylphlorigidoside B

  • Categories:

    Natural Products  >  Iridoid Derivatives

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate Basic Attributes

594.6

594.56

Computed Properties

Molecular Weight:594.6
XLogP3:0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:594.19485575
Monoisotopic Mass:594.19485575
Topological Polar Surface Area:208
Heavy Atom Count:42
Complexity:1070
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

Methyl (1S,4aR,5R,7S,7aS)-7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]cyclopenta[c]pyran-4-carboxylate

SDS

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