3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid
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![3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1f012e445a9d4752864951b7b3c9219f.png "3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid")
3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid
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CAS No:
67627-13-8
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Formula:
C27H38O8
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Chemical Name:
3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid
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Synonyms:
tetrahydrocannabinol C4'-glucuronide;67627-13-8;Tetrahydrocannabinol C4'-glucuronide;DTXSID80986999;2,6-Anhydro-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-2-yl)hexonic acid;beta-D-Glucopyranuronic acid, 1-deoxy-1-(6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-2-yl)-, (6aR-trans)-
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CAS No:
3,4,5-trihydroxy-6-(1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-2-yl)oxane-2-carboxylic acid Basic Attributes
490.6 g/mol
490.25666817 g/mol
Computed Properties
Molecular Weight:490.6
XLogP3:3.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:490.25666817
Monoisotopic Mass:490.25666817
Topological Polar Surface Area:137
Heavy Atom Count:35
Complexity:796
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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