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

Go to external page http://purl.obolibrary.org/obo/CHEBI_67600

A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa.

Term info

Label

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

Synonyms
  • 2alpha,3beta-dihydroxylup-20(29)-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2alpha,3beta-dihydroxylup-20(29)-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O4

has obo namespace

chebi_ontology

has related synonym

2alpha-hydroxybetulinic acid

id

CHEBI:67600

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