methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
structure -
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CAS No:
128450-79-3
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Formula:
C24H30O11
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Chemical Name:
methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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Synonyms:
Arborside B;128450-79-3;DTXSID20155905;Cyclopenta(c)pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester,(1S,4aS,6S,7R,7aS)-
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CAS No:
methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Basic Attributes
494.5 g/mol
494.17881177 g/mol
DTXSID20155905
Computed Properties
Molecular Weight:494.5
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:494.17881177
Monoisotopic Mass:494.17881177
Topological Polar Surface Area:161
Heavy Atom Count:35
Complexity:794
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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