(3R,5S,6S,7R)-18-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,7R)-18-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/b9d8d5d1b12d4627aef29a8a23246da4.png "(3R,5S,6S,7R)-18-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,7R)-18-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:
111901-44-1
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Formula:
C19H16O3
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Chemical Name:
(3R,5S,6S,7R)-18-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:
UNII-CT186P942O;6-Methylchrysene-1R,2S-diol-3S,4R-epoxide;CT186P942O;111901-44-1;(1R,2S,3S,4R)-6-methylchrysene-1,2-diol-3,4-epoxide;CCRIS 1752;1R,2S-Dihydroxy-3S,4R-epoxy-1,2,3,4-tetrahydro-5-methylchrysene;(+)-6-MeCDE;Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-, (1R-(1-alpha,2-beta,2a-alpha,3a-alpha))-;Q27275745;6-Methylchrysene-1,2-diol-3,4-epoxide, (1R,2S,3S,4R)-
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CAS No:
(3R,5S,6S,7R)-18-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
CT186P942O
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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