(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate
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![(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d4e914567ff748c18a84673b34c182e8.png "(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate")
(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate
structure -
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CAS No:
73021-00-8
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Formula:
C20H26O8
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Chemical Name:
(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate
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Synonyms:
NSC311048;73021-00-8;Anomalide;DTXSID40317104;SESQUITERPENE LACTONE EAN-1;NSC-311048;73543-78-9
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CAS No:
(9,12-dihydroxy-15-methyl-5-methylidene-4-oxo-3,11,14-trioxapentacyclo[7.6.1.02,6.012,16.013,15]hexadecan-7-yl) 2-methylbutanoate Basic Attributes
394.4 g/mol
394.16276778 g/mol
311048
DTXSID40317104
Computed Properties
Molecular Weight:394.4
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:394.16276778
Monoisotopic Mass:394.16276778
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:780
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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