Tinyatoxin
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Tinyatoxin
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CAS No:
58821-95-7
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Formula:
C36H38O8
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Chemical Name:
Tinyatoxin
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Synonyms:
Benzeneacetic acid,4-hydroxy-,[(2S,3aR,3bS,6aR,9aS,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester;Daphnetoxin,6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-,20-(4-hydroxybenzeneacetate);7H-2,9b-Epoxyazuleno[5,4-e]-1,3-benzodioxole,daphnetoxin deriv.;Tinyatoxin;Benzeneacetic acid,4-hydroxy-,[3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester,[2S-(2α,3aβ,3bβ,6aβ,9aα,9bα,10α,11aβ)]-
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:598.7
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:598.25666817
Monoisotopic Mass:598.25666817
Topological Polar Surface Area:112
Heavy Atom Count:44
Complexity:1270
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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