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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 b, (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 b, (rel)-

Preferred term

bonianic acid b, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O5

has_role

inchi

  • InChI=1S/C32H50O5/c1-19(2)23(34)9-8-20(3)22-12-14-29(6)24-10-11-25-30(7,27(35)36)26(37-21(4)33)13-15-31(25)18-32(24,31)17-16-28(22,29)5/h19-20,22,24-26H,8-18H2,1-7H3,(H,35,36)/t20-,22-,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1

inchikey

  • ZVKOTDKTSIZJGD-RCYNUSLWSA-N

mass

  • 514.73640

monoisotopicmass

  • 514.36582

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(=O)C(C)C

subset

  • 2_STAR

synonym RELATED

  • rel-(3beta,9beta)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acid
  • rel-3beta-O-acetylcycloart-24-one-28-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68101

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