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CHEBI:71171 - (3β)-3,27-dihydroxyolean-12-en-28-oic acid

ChEBI IDCHEBI:71171
ChEBI Name(3β)-3,27-dihydroxyolean-12-en-28-oic acid
Stars
ASCII Name(3beta)-3,27-dihydroxyolean-12-en-28-oic acid
DefinitionA pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at 3β and 27-positions and a carboxy group at position 28.
Last Modified16 November 2012
Submitternamrata
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@@](CO)(CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,27-,28+,29-,30-/m0/s1
InChIKeyADBMMSFXIFGNAX-MDAIVZGXSA-N
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)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171) has parent hydride oleanane (CHEBI:36481)
(3β)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171) is a diol (CHEBI:23824)
(3β)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171) is a monocarboxylic acid (CHEBI:25384)
(3β)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
asprellic acid A (CHEBI:65455) has functional parent (3β)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171)
asprellic acid C (CHEBI:65456) has functional parent (3β)-3,27-dihydroxyolean-12-en-28-oic acid (CHEBI:71171)
IUPAC Name 
(3β)-3,27-dihydroxyolean-12-en-28-oic acid
Registry NumbersSources
Reaxys:3018293Reaxys