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2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
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![2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cd153caf39c74a8c9eda2b699d79be69.png "2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol")
2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
structure -
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CAS No:
146763-56-6
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Formula:
C21H36O11
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Chemical Name:
2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
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Synonyms:
Neohancoside B;
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CAS No:
2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol Basic Attributes
464.50400
464.22576196
Computed Properties
Molecular Weight:464.5
XLogP3:-2.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:464.22576196
Monoisotopic Mass:464.22576196
Topological Polar Surface Area:179
Heavy Atom Count:32
Complexity:629
Undefined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-[(6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
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