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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > acetate ester > 14-o-acetylbrowniine
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 14-o-acetylbrowniine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 14-o-acetylbrowniine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 14-o-acetylbrowniine

Preferred term

14-o-acetylbrowniine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H43NO8

has_functional_parent

inchi

  • InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1

inchikey

  • BQMFTYVYHRJVMQ-VEUWJJFUSA-N

mass

  • 509.63226

monoisotopicmass

  • 509.29887

smiles

  • [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC(C)=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC

subset

  • 3_STAR

synonym EXACT

  • 20-ethyl-7,8-dihydroxy-1alpha,6beta,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl acetate

synonym RELATED

  • 14-Acetylbrowniine
  • Acetylbrowniine
  • Browniine 14-acetate
  • Browniine 14-O-acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2414

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