(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
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![(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ac92d0ad864b4f95ad42794b6c6ede1a.png "(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol")
(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
structure -
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CAS No:
63038-82-4
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Formula:
C18H14O3
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Chemical Name:
(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
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Synonyms:
Benz(a)anthracene-8,9-diol-10,11-epoxide, syn;anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene;63038-82-4;64598-82-9;CCRIS 779;syn-(+/-)-Benz(a)anthracene-8,9-diol-10,11-oxide;64937-39-9;Benz(a)anthracene, 8,9,10,11-tetrahydro-8,9-dihydroxy-10,11-epoxy-, anti-;Benz(7,8)anthra(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aalpha,2alpha,3beta,11balpha)-;BENZ[A]ANTHRACENE-10,11-DIOL-8,9-EPOXIDE;(1aR,2S,3R,11bS)-1a,2,3,11b-Tetrahydrobenz[7,8]anthra[1,2-b]oxirene-2,3-diol;(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
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CAS No:
(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol Basic Attributes
278.3 g/mol
278.094294304 g/mol
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
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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