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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > bonianic acid a, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > bonianic acid a, (rel)-

Preferred term

bonianic acid a, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O4

has_role

inchi

  • InChI=1S/C32H50O4/c1-20(2)9-8-10-21(3)23-13-15-29(6)24-11-12-25-30(7,27(34)35)26(36-22(4)33)14-16-31(25)19-32(24,31)18-17-28(23,29)5/h9,21,23-26H,8,10-19H2,1-7H3,(H,34,35)/t21-,23-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1

inchikey

  • LALJNSPMSICJKG-CDQXLAKPSA-N

mass

  • 498.73700

monoisotopicmass

  • 498.37091

smiles

  • [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@@](C)([C@H](CC[C@@]44C[C@@]34CC[C@]12C)OC(C)=O)C(O)=O)[C@H](C)CCC=C(C)C

subset

  • 2_STAR

synonym RELATED

  • rel-(3beta,9beta)-3-Acetoxy-9,19-cyclolanost-24-en-28-oic acid
  • rel-3beta-O-acetylcycloart-24-en-28-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68100

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