[(2R,3S,4R,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-hydroxybenzoate
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[(2R,3S,4R,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-hydroxybenzoate
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CAS No:
77533-67-6
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Formula:
C23H26O11
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Chemical Name:
[(2R,3S,4R,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-hydroxybenzoate
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Synonyms:
Decentapicrin B;77533-67-6;(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((4aS,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-3-yl 3-hydroxybenzoate;DTXSID70228234;1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((4-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-
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CAS No:
[(2R,3S,4R,5R,6S)-6-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-hydroxybenzoate Basic Attributes
478.4 g/mol
478.14751164 g/mol
DTXSID70228234
Computed Properties
Molecular Weight:478.4
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:478.14751164
Monoisotopic Mass:478.14751164
Topological Polar Surface Area:161
Heavy Atom Count:34
Complexity:798
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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