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21beta-hydroxyolean-12-en-3-one

Go to external page http://purl.obolibrary.org/obo/CHEBI_66049

A pentacyclic triterpenoid that is olean-12-ene substituted by an oxo substituent at position 3 and a beta-hydroxy group at position 21. Isolated from the root barks of Hippocratea excelsa, it exhibits antigiardial activity.

Term info

Label

21beta-hydroxyolean-12-en-3-one

Synonyms
  • (21beta)-21-hydroxyolean-12-en-3-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(21beta)-21-hydroxyolean-12-en-3-one [ IUPAC ]

charge

0

formula

C30H48O2

has obo namespace

chebi_ontology

has related synonym

21beta-hydroxy-beta-amyrenone

id

CHEBI:66049

inchi

InChI=1S/C30H48O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h9,20-22,24,32H,10-18H2,1-8H3/t20-,21-,22+,24-,27-,28-,29+,30+/m0/s1

inchikey

CYAGVDMNRPMVDV-ZMIVVTAWSA-N

mass

440.70090

monoisotopicmass

440.36543

smiles

[H][C@@]12CC(C)(C)[C@@H](O)C[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C