[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
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[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
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CAS No:
88586-75-8
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Formula:
C21H34O11
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Chemical Name:
[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
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Synonyms:
88586-75-8;8-epi-Valerosidate;DTXSID901008246;beta-D-Glucopyranoside, (1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl,(1S,4aS,6R,7S,7aS)-;Methyl 1-C-{6,7-dihydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}hexopyranoside
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CAS No:
[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate Basic Attributes
462.5 g/mol
462.21011190 g/mol
Computed Properties
Molecular Weight:462.5
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:462.21011190
Monoisotopic Mass:462.21011190
Topological Polar Surface Area:175
Heavy Atom Count:32
Complexity:727
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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