Terminology Service for NFDI4Health
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betulinic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_3087

A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties.

Term info

Label

betulinic acid

Synonyms
  • 3beta-hydroxylup-20(29)-en-28-oic acid
  • Betulinic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-hydroxylup-20(29)-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O3

has alternative id

CHEBI:65491

has obo namespace

chebi_ontology

id

CHEBI:3087

inchi

InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

inchikey

QGJZLNKBHJESQX-FZFNOLFKSA-N

mass

456.70030

monoisotopicmass

456.36035

smiles

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O