rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
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![rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7e2a7e452db84030a8e3cf5e666213b4.png "rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol")
rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
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CAS No:
86941-58-4
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Formula:
C20H18O3
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Chemical Name:
rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
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Synonyms:
Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol,1a,2,3,11c-tetrahydro-6,11-dimethyl-,(1aR,2R,3S,11cS)-rel-;Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol,1a,2,3,11c-tetrahydro-6,11-dimethyl-,(1aα,2β,3α,11cα)-;rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol;(±)-anti-7,12-Dimethylbenz[a]anthracene-3,4-dihydrodiol-1,2-epoxide;130856-45-0
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CAS No:
Description
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol is a phenanthrol.
rel-(1aR,2R,3S,11cS)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol Basic Attributes
306.4 g/mol
306.36
Computed Properties
Molecular Weight:306.4
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:306.125594432
Monoisotopic Mass:306.125594432
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:480
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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