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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > 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 > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
organooxygen compound > ester > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
organooxygen compound > oxacycle > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 23-deoxypaeonenoide a, (rel)-

Preferred term

23-deoxypaeonenoide a, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O5

has_role

inchi

  • InChI=1S/C28H40O5/c1-15-6-11-27-13-12-25(4)24(3)10-7-16-23(2,9-8-18(29)26(16,5)31)20(24)19-21(32-19)28(25,17(27)14-15)33-22(27)30/h16-21,29,31H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26-,27+,28-/m1/s1

inchikey

  • SZILVBCYKIZRPO-MOBNGVPASA-N

mass

  • 456.61420

monoisotopicmass

  • 456.28757

smiles

  • [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@@](C)(O)[C@@H](O)CC[C@]3(C)[C@@]21[H]

subset

  • 2_STAR

synonym RELATED

  • rel-11alpha,12alpha-epoxy-3beta,4beta,13beta-trihydroxy-24,30-dinor-olean-20(29)-en-28,13beta-olide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69576

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