methyl 11,15,16-trihydroxy-3-[2-(1-hydroxyethyl)-3-methylbut-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
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methyl 11,15,16-trihydroxy-3-[2-(1-hydroxyethyl)-3-methylbut-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
structure -
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CAS No:
53663-02-8
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Formula:
C28H34O12
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Chemical Name:
methyl 11,15,16-trihydroxy-3-[2-(1-hydroxyethyl)-3-methylbut-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
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Synonyms:
NSC238180;DEHYDROBRUCEANTOL;53663-02-8;DTXSID40311122;NSC-238180
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CAS No:
methyl 11,15,16-trihydroxy-3-[2-(1-hydroxyethyl)-3-methylbut-2-enoyl]oxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate Basic Attributes
562.6 g/mol
562.20502652 g/mol
238180
DTXSID40311122
Computed Properties
Molecular Weight:562.6
XLogP3:1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:562.20502652
Monoisotopic Mass:562.20502652
Topological Polar Surface Area:186
Heavy Atom Count:40
Complexity:1310
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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