Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-
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Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-
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CAS No:
131086-64-1
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Formula:
C28H40O10
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Chemical Name:
Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-
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Synonyms:
131086-64-1;(-)-Ajugachin A;DTXSID10927072;Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-;8-(Acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate;Propanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-((2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl ester;Propanoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl ester, (1R-(1alpha,2beta,3alpha,4abeta,5beta2S*,3aS*,6aS*),6alpha,8alpha,8aalpha))-
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CAS No:
Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)- Basic Attributes
536.6 g/mol
536.26214747 g/mol
Computed Properties
Molecular Weight:536.6
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:536.26214747
Monoisotopic Mass:536.26214747
Topological Polar Surface Area:130
Heavy Atom Count:38
Complexity:1010
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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