[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate
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![[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d00ade00d5de4e3eb6f9b2cc1d73d405.png "[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate")
[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate
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CAS No:
115995-13-6
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Formula:
C20H24O6
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Chemical Name:
[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate
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Synonyms:
tomencephalin;Tomencephalin;115995-13-6;CHEMBL520805;DTXSID90921891;2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4-hydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno(2,3)azuleno(4,5-b)furan-5-yl ester, (3aR-(3aalpha,4alpha,5beta,7abeta,8abeta,8balpha,8cbeta))-;4-Hydroxy-6,8a-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-5-yl 3-methylbut-2-enoate
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CAS No:
[(1S,2S,6R,7R,8R,12R,14S)-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] 3-methylbut-2-enoate Basic Attributes
360.4 g/mol
360.15728848 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:360.15728848
Monoisotopic Mass:360.15728848
Topological Polar Surface Area:85.4
Heavy Atom Count:26
Complexity:773
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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