(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/24d3ad6e765c4f8d9aff05384905cd53.png "(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
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CAS No:
85648-55-1
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Formula:
C21H30O8
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
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Synonyms:
deoxypentalenylglucuron;Deoxypentalenylglucuron;85648-55-1;DTXSID301006228;(2S,3S,4S,5R,6R)-6-[(3aR,5aS)-1,7,7-trimethyl-2,3,3a,5a,6,8-hexahydro-1H-cyclopenta[h]pentalene-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;1-O-(1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbonyl)hexopyranuronic acid;beta-D-Glucopyranuronic acid, 1-(1,2,3,3a,5a,6,7,8-octahydro-1,7,7-trimethylcyclopenta(c)pentalene-4-carboxylate), (1R-(1alpha,3aalpha,5abeta,8aR*))-
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid Basic Attributes
410.5 g/mol
410.19406791 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:410.19406791
Monoisotopic Mass:410.19406791
Topological Polar Surface Area:134
Heavy Atom Count:29
Complexity:745
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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