(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one
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![(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/180643bcb2654e93a59e9065da3153c5.png "(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one")
(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one
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CAS No:
90044-34-1
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Formula:
C15H22O3
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Chemical Name:
(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one
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Synonyms:
Sambucoin;DTXSID501009111;Cyclopenta(c)(1)benzopyran-3(2H)-one, 1,3a,4,5a,8,9,9a,9b-octahydro-3a-hydroxy-7,9a,9b-trimethyl-, (3aS,5aS,9aR,9bR)-;3a-Hydroxy-7,9a,9b-trimethyl-1,3a,4,5a,8,9,9a,9b-octahydrobenzo[b]cyclopenta[d]pyran-3(2H)-one
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CAS No:
(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one Basic Attributes
250.33338
250.157
Computed Properties
Molecular Weight:250.33
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:250.15689456
Monoisotopic Mass:250.15689456
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:441
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3aS)-1,3a,4,5aα,8,9,9a,9b-Octahydro-3aα-hydroxy-7,9aβ,9bα-trimethylcyclopenta[c][1]benzopyran-3(2H)-one
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