8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate]
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![8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ed8bcc7b4c4e427ebaa6a7ab55e0de2d.png "8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate]")
8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate]
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CAS No:
33111-00-1
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Formula:
C29H33NO9
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Chemical Name:
8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate]
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Synonyms:
8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate];Hernandifoline
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CAS No:
8β,10β-Epoxy-3,7,8-trimethoxyhasubanan-4,6β-diol 6-[(E)-3-(3-hydroxy-4-methoxyphenyl)propenoate] Basic Attributes
539.57362
539.216
Computed Properties
Molecular Weight:539.6
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:539.21553163
Monoisotopic Mass:539.21553163
Topological Polar Surface Area:125
Heavy Atom Count:39
Complexity:963
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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