(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol
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![(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/89d28a17f5134f6c8d7ea042a7e453c9.png "(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol")
(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol
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CAS No:
72160-84-0
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Formula:
C29H44O10
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Chemical Name:
(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol
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Synonyms:
72160-84-0;DTXSID50992885;Butanoic acid, 2-methyl-, (1R,2S,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S,3aR,6aS)-hexahydrofuro(2,3-b)furan-2-yl)octahydro-2-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2S)-;8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-2-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl 2-methylbutanoate
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CAS No:
(3β)-14,15-Dihydro-1β-[(S)-2-methyl-1-oxobutoxy]caryoptinol Basic Attributes
552.7 g/mol
552.29344760 g/mol
Computed Properties
Molecular Weight:552.7
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:552.29344760
Monoisotopic Mass:552.29344760
Topological Polar Surface Area:130
Heavy Atom Count:39
Complexity:985
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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