[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate
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![[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7defe4d9f4064da68625487f45882830.png "[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate")
[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate
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CAS No:
110559-87-0
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Formula:
C23H28O13
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Chemical Name:
[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate
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Synonyms:
DTXSID80911746;110559-87-0;2-(Hexopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 3-hydroxy-4-methoxybenzoate
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CAS No:
[(1S,2S,4S,5S,6R,10R)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate Basic Attributes
512.5 g/mol
512.15299094 g/mol
Computed Properties
Molecular Weight:512.5
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:512.15299094
Monoisotopic Mass:512.15299094
Topological Polar Surface Area:197
Heavy Atom Count:36
Complexity:839
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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