4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid
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![4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e0dad3c09b994942951d8dfe543dd1a1.png "4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid")
4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid
structure -
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CAS No:
78261-83-3
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Formula:
C21H16O10
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Chemical Name:
4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid
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Synonyms:
78261-83-3;Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-;DTXSID40228923
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CAS No:
4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid Basic Attributes
428.3 g/mol
428.07434670 g/mol
DTXSID40228923
Computed Properties
Molecular Weight:428.3
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:428.07434670
Monoisotopic Mass:428.07434670
Topological Polar Surface Area:135
Heavy Atom Count:31
Complexity:904
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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