(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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![(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/40598cc65db44fe3bdfea7cc8fba51ed.png "(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol")
(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
structure -
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CAS No:
97170-07-5
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Formula:
C19H16O3
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Chemical Name:
(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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Synonyms:
1,2-DETMC;1,2-dihydroxy-epoxy-1,2,3,4-tetrahydro-5-methylchrysene;5-MeC-1,2-diol-3,4-epoxide;5-MeCDE;5-methyl-1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydrochrysene;5-methylchrysene-1,2-dihydrodiol-3,4-epoxide;5-methylchrysene-1,2-diol-3,4-epoxide;anti-5-methylchrysene-1,2-dihydrodiol-3,4-epoxide;trans-1,2-dihydroxy-anti-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene;97170-07-5;CCRIS 2085;syn-5-Methylchrysene-1,2-diol-3,4-epoxide;trans-1,2-Dihydroxy-anti-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene;(1alpha,2beta,2abeta,3abeta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol;(1-alpha,2-beta,2a-beta,3a-beta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol;Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-beta,3a-beta)-;DTXSID20914079;syn-(+-)-trans-1,2,3,4-Tetrahydro-5-methylchrysene-1,2-diol-3,4-epoxide;10-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol;SYN-(+/-)-TRANS-1,2,3,4-TETRAHYDRO-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE
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CAS No:
(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol Basic Attributes
292.3 g/mol
292.109944368 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-DETMC
Computed Properties
Molecular Weight:292.3
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:292.109944368
Monoisotopic Mass:292.109944368
Topological Polar Surface Area:53
Heavy Atom Count:22
Complexity:452
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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