4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
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![4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f2f8efe75ad844d4a71393b82c3a723b.png "4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol")
4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
structure -
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CAS No:
64551-89-9
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Formula:
C18H14O3
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Chemical Name:
4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
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Synonyms:
3,4-DETBA;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aalpha,2alpha,3beta,11calpha)-(+-)-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aalpha,2alpha,3beta,11calpha)-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aalpha,2beta,3alpha,11calpha)-(+-)-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1alpha,2beta,3alpha,11calpha)-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aR-(1aalpha,2alpha,3beta,11calpha))-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aR-(1aalpha,2beta,3alpha,11calpha))-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aS-(1aalpha,2alpha,3beta,11calpha)-)-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aS-(1aalpha,2beta,3alpha,11calpha))-isomer;3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzanthracene;benzanthracene 3,4-diol-1,2-epoxide;3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene;Benz(a)anthracene 3,4-dihydrodiol-1,2-epoxide;64551-89-9;(+-)-cis-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene;Benzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-;(+-)-cis-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(a)anthracene;Benz(a)anthracene, 3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydro-, (Z), (+)-;BENZ(a)ANTHRACENE, 1,2,3,4-TETRAHYDRO-3,4-DIHYDROXY-1,2-EPOXY-, (Z)-(+)-
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CAS No:
4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol Basic Attributes
278.3 g/mol
278.094294304 g/mol
Computed Properties
Molecular Weight:278.3
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:278.094294304
Monoisotopic Mass:278.094294304
Topological Polar Surface Area:53
Heavy Atom Count:21
Complexity:425
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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