methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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CAS No:
82474-98-4
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Formula:
C24H30O12
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Chemical Name:
methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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Synonyms:
82474-98-4;6'-(m-Hydroxybenzoyl)loganin;DTXSID601002706;Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-1-((6-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-;Methyl 6-hydroxy-1-{[6-O-(3-hydroxybenzoyl)hexopyranosyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
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CAS No:
methyl (1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Basic Attributes
510.5 g/mol
510.17372639 g/mol
Computed Properties
Molecular Weight:510.5
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:510.17372639
Monoisotopic Mass:510.17372639
Topological Polar Surface Area:181
Heavy Atom Count:36
Complexity:832
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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