(3R,5S,6S,7R)-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,7R)-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/c1cb48593fee40e09f09eaeda9e2191f.png "(3R,5S,6S,7R)-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,7R)-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:
111901-39-4
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Formula:
C19H16O3
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Chemical Name:
(3R,5S,6S,7R)-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:
anti-1,2,3,4-Tetrahydro-5-methylchrysene-1,2-diol-3,4-epoxide;111901-39-4;anti-5-Methylchrysene-1,2-diol-3,4-epoxide;CCRIS 1748;Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1R-(1-alpha,2-beta,2a-alpha,3a-alpha))-;(+)-5-MeCDE
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CAS No:
(3R,5S,6S,7R)-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
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| MUTATION DATA | Mutation in microorganisms | 250 pmol/plate | -- | Chemical Research in Toxicology. (American Chemical Soc., Distribution Office Dept. 223, POB 57/36, West End Station, Washington, DC 20037) V.1- 1988- Volume(issue)/page/year: 1,349,1988 |
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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