(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
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![(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fd3c18d74ddd440ba486bd969ae87312.png "(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol")
(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
structure -
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CAS No:
70951-83-6
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Formula:
C18H14O3
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Chemical Name:
(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
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Synonyms:
70951-83-6;anti-1,2,3,4-Tetrahydrochrysene-3,4-diol-1,2-epoxide;CCRIS 6340;anti-Chrysene-3,4-diol 1,2-oxide;r-4,t-3-Dihydroxy-t-1,2-oxy-1,2,3,4-tetrahydrochrysene;1a,2,3,11b-Tetrahydrochryseno(1,2-b)oxirene-2,3-diol (1a-alpha,2-beta,3-alpha,11b-alpha)-;Chryseno(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1a-alpha,2-beta,3-alpha,11b-alpha)-;DTXSID80991245;1a,2,3,11b-Tetrahydrochryseno[1,2-b]oxirene-2,3-diol;1alpha,2alpha-Epoxy-1,2,3,4-tetrahydrochrysene-3alpha,4beta-diol
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CAS No:
(3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-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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