4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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![4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6355ad6611794b1da19f9b36602a0a79.png "4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol")
4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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CAS No:
111001-48-0
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Formula:
C18H14O3
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Chemical Name:
4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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Synonyms:
1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aalpha,2alpha,3beta,11dalpha)-(+-)-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aalpha,2alpha,3beta,11dalpha)-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aalpha,2beta,3alpha,11dalpha)-(+-)-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aalpha,2beta,3alpha,11dalpha)-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aalpha,2beta,3beta,11dalpha)-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aR-(1aalpha,2alpha,3beta,11dalpha))-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aR-(1aalpha,2beta,3alpha,11dalpha))-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aS-(1aalpha,2alpha,3beta,11dalpha))-isomer;1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, (1aS-(1aalpha,2beta,3alpha,11dalpha))-isomer;3 alpha,4 beta-dihydroxy-1 alpha,2 alpha-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene;3 alpha,4 beta-dihydroxy-1 beta,2 beta-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene;3,4-DETBP;B(c)PhDE;BcPh DE cpd;BcPHDE;benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide;D-1,2-ETBP;111001-48-0;BcPhde;B(c)Phde;1a,2,3,11d-Tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol;3,4-DETBP;B(c)PH diol epoxide-1;D-1,2-ETBP;1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol;Benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide;1,2-Epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene;ACMC-1C651;CHEMBL1743212;DTXSID00911940;Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol,1a,2,3,11d-tetrahydro- (9CI);3alpha,4beta-Dihydroxy-1alpha,2alpha-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene;Benzo[C]Phenanthrene Diol Epoxide (Bphde);(.+/-.)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1;1,2,3,4-Tetrahydro-1,2-epoxybenzo[c]phenanthrene-3,4-diol;trans-3,4-Dihydroxy-anti-1,2,3,4-tetrahydrobenzo[
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CAS No:
4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol Basic Attributes
278.3 g/mol
278.094294304 g/mol
Drug Information
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)
1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Computed Properties
Molecular Weight:278.3
XLogP3:2.3
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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