(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
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![(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5fe5769a7d9c4b53ad57b7e9b5a2b6b9.png "(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one")
(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
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CAS No:
85431-66-9
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Formula:
C15H22O6
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Chemical Name:
(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
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Synonyms:
85431-66-9;Phaseolinone tetrol;DTXSID301005949;Naphth(1,2-b)oxiren-2(1aH)-one, 1a-(1,2-dihydroxy-1-(hydroxymethyl)ethyl)-4,5,6,7,7a,7b-hexahydro-6-hydroxy-7,7a-dimethyl-, (1aS-(1aalpha,6beta,7alpha,7aalpha,7balpha))-;6-Hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one
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CAS No:
(1aS,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-1a-(1,2,3-trihydroxypropan-2-yl)-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one Basic Attributes
298.33 g/mol
298.14163842 g/mol
Computed Properties
Molecular Weight:298.33
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:298.14163842
Monoisotopic Mass:298.14163842
Topological Polar Surface Area:111
Heavy Atom Count:21
Complexity:510
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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