(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
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![(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/94958595da3e4688a6d8c871cb93a78a.png "(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione")
(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
structure -
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CAS No:
71135-32-5
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Formula:
C20H26O6
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Chemical Name:
(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
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Synonyms:
13-Hydroxyballonigrinolide;71135-32-5;DTXSID90991438;2H-Naphtho(1,8-bc)furan-2,8(2aH)-dione, 3,4,5,5a,8a,8b-hexahydro-2a,5a,7-trimethyl-6-(2-(tetrahydro-3-hydroxy-5-oxo-3-furanyl)ethyl)-, (2aS-(2aalpha,5abeta,8aalpha,8balpha))-(partial)-;6-[2-(3-Hydroxy-5-oxooxolan-3-yl)ethyl]-2a,5a,7-trimethyl-3,4,5,5a,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-2,8(2aH)-dione
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CAS No:
(1S,4S,8S,12R)-9-[2-(3-hydroxy-5-oxooxolan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione Basic Attributes
362.4 g/mol
362.17293854 g/mol
Computed Properties
Molecular Weight:362.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:362.17293854
Monoisotopic Mass:362.17293854
Topological Polar Surface Area:89.9
Heavy Atom Count:26
Complexity:739
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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