6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
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![6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/43c85aabc5c54e3594c316a13769de96.png "6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol")
6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
structure -
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CAS No:
89524-81-2
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Formula:
C21H16O3
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Chemical Name:
6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
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Synonyms:
7,8-DEMTBP;7,8-dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene;trans-7,8-dihdyroxy-anti-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene;89524-81-2;7,8-Demtbp;ACMC-20ln75;DTXSID501008856;7,8-Dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene;trans-7,8-Dihydroxy-anti-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene;Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol,7,8,8a,9a-tetrahydro-8-methyl-, (7a,8b,8aa,9aa)- (9CI);8-Methyl-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol;Trans-7,8-dihdyroxy-anti-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene;Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-8-methyl-, (7alpha,8beta,8aalpha,9aalpha)-
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CAS No:
6-methyl-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol Basic Attributes
316.3 g/mol
316.109944368 g/mol
Computed Properties
Molecular Weight:316.3
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:316.109944368
Monoisotopic Mass:316.109944368
Topological Polar Surface Area:53
Heavy Atom Count:24
Complexity:549
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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