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

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ChEBI Name (3β)-3,27-dihydroxyolean-12-en-28-oic acid
ChEBI ID CHEBI:71171
ChEBI ASCII Name (3beta)-3,27-dihydroxyolean-12-en-28-oic acid
Definition A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at 3β and 27-positions and a carboxy group at position 28.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.69970
Monoisotopic Mass 472.35526
InChI InChI=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
InChIKey ADBMMSFXIFGNAX-MDAIVZGXSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(CO)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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 Number Type Source
3018293 Reaxys Registry Number Reaxys
Last Modified
16 November 2012