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Concept information

Preferred term

2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid  

Type

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

charge

  • 0

formula

  • C30H48O4

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1

inchikey

  • PFCVZKFJHRCLCC-PGOIBATFSA-N

mass

  • 472.69970

monoisotopicmass

  • 472.35526

smiles

  • CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 2alpha,3beta-dihydroxylup-20(29)-en-28-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67600

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