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CHEBI:71468 - D:C-friedoolean-7,9(11)-dien-3β-ol-29-oic acid

ChEBI IDCHEBI:71468
ChEBI NameD:C-friedoolean-7,9(11)-dien-3β-ol-29-oic acid
Stars
ASCII NameD:C-friedoolean-7,9(11)-dien-3beta-ol-29-oic acid
DefinitionA pentacyclic triterpenoid that belongs to the group of D:C-friedooleanane type triterpenoids.
Last Modified17 December 2012
Submitternamrata
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@@]12C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@]1(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C
InChIInChI=1S/C30H46O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h8,10,21-23,31H,9,11-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
InChIKeyMKJSCJNRPNXEGW-FPLINDMSSA-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)
D:C-friedoolean-7,9(11)-dien-3β-ol-29-oic acid (CHEBI:71468) is a hydroxy monocarboxylic acid (CHEBI:35868)
D:C-friedoolean-7,9(11)-dien-3β-ol-29-oic acid (CHEBI:71468) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
3-β-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid (CHEBI:65663) has functional parent D:C-friedoolean-7,9(11)-dien-3β-ol-29-oic acid (CHEBI:71468)
IUPAC Name 
(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid
Registry NumbersSources
Reaxys:6616635Reaxys