(3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one
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(3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one
structure -
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CAS No:
96895-33-9
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Formula:
C15H18O5
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Chemical Name:
(3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one
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Synonyms:
Deacyljanerin;96895-33-9;DTXSID00914259;4,8-Dihydroxy-3,6-dimethylidenedecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-2-one
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CAS No:
(3aR,4S,6aR,8S,9aS,9bS)-4,8-dihydroxy-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one Basic Attributes
278.30 g/mol
278.11542367 g/mol
Computed Properties
Molecular Weight:278.30
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:278.11542367
Monoisotopic Mass:278.11542367
Topological Polar Surface Area:79.3
Heavy Atom Count:20
Complexity:526
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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