(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate
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![(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0e399b25afee4755b6166900b5f3fde8.png "(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate")
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate
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CAS No:
71381-97-0
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Formula:
C41H48O7
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Chemical Name:
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate
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Synonyms:
71381-97-0;DTXSID10991713;Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(alpha-methyl-4-(2-methylpropyl)benzeneacetate);[2-Benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl 2-[4-(2-methylpropyl)phenyl]propan
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CAS No:
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate Basic Attributes
652.8 g/mol
652.34000387 g/mol
Computed Properties
Molecular Weight:652.8
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:652.34000387
Monoisotopic Mass:652.34000387
Topological Polar Surface Area:91.3
Heavy Atom Count:48
Complexity:1370
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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