[(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
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[(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
structure -
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CAS No:
122297-37-4
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Formula:
C24H34O6
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Chemical Name:
[(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
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Synonyms:
Paniculadiol diacetate;122297-37-4;DTXSID80153563;2(5H)-Furanone, 4-(2-(4a,5-bis((acetyloxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2-dimethyl-1-naphthalenyl)ethyl)-, (1S-(1alpha,2beta,4abeta,8aalpha))-
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CAS No:
[(4aS,5R,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate Basic Attributes
418.5 g/mol
418.23553880 g/mol
DTXSID80153563
Computed Properties
Molecular Weight:418.5
XLogP3:3.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:418.23553880
Monoisotopic Mass:418.23553880
Topological Polar Surface Area:78.9
Heavy Atom Count:30
Complexity:766
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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