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Home > Encyclopedia > 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

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

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

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
  • CAS No:

    53663-02-8

  • Formula:

    C28H34O12

  • 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

  • Synonyms:

    NSC238180;DEHYDROBRUCEANTOL;53663-02-8;DTXSID40311122;NSC-238180

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

Characteristics

186 Ų

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

Guide of 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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