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CHEBI:70416 - 3β-hydroxyfriedelan-23-oic acid

ChEBI IDCHEBI:70416
ChEBI Name3β-hydroxyfriedelan-23-oic acid
Stars
ASCII Name3beta-hydroxyfriedelan-23-oic acid
DefinitionA pentacyclic triterpenoid isolated from the leaves of Garcia parviflora.
Last Modified1 June 2015
DownloadsMolfile
FormulaC31H52O3
Net Charge0
Average Mass472.754
Monoisotopic Mass472.39165
SMILES[H][C@]12CC[C@]3(C)[C@@H](CC(=O)O)[C@@H](O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]21C
InChIInChI=1S/C31H52O3/c1-26(2)12-13-27(3)14-16-30(6)23-10-11-28(4)20(18-25(33)34)21(32)8-9-22(28)29(23,5)15-17-31(30,7)24(27)19-26/h20-24,32H,8-19H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,24+,27+,28+,29-,30+,31-/m0/s1
InChIKeyMCQITBJTZHPOCF-NOHCWTEQSA-N
Species of MetaboliteComponentSourceComments
Garcia parviflora (IPNI:107401-2)
leaf (BTO:0000713) PubMed (20958014) EtOAc extract of air-dried, powdered branch and leaves
branch (BTO:0000148) PubMed (20958014) EtOAc extract of air-dried, powdered branch and leaves
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) has functional parent friedelin (CHEBI:5171)
3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) is a hydroxy monocarboxylic acid (CHEBI:35868)
3β-hydroxyfriedelan-23-oic acid (CHEBI:70416) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
[(3S,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-3-hydroxy-4a,6b,8a,11,11,12b,14a-heptamethyldocosahydropicen-4-yl]acetic acid
Citations