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CHEBI:70978 - primulagenin A

ChEBI IDCHEBI:70978
ChEBI Nameprimulagenin A
Stars
DefinitionA pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3β, 16α and 28-positions.
Last Modified28 November 2013
Submitternamrata
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(CO)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1
InChIKeyYHGVYECWZWIVJC-TVZJSHMMSA-N
ChEBI Ontology
Outgoing Relation(s)
primulagenin A (CHEBI:70978) has parent hydride oleanane (CHEBI:36481)
primulagenin A (CHEBI:70978) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming Relation(s)
3β-O-{α-L-Rhap-(1→2)-β-D-Glcp-(1→4)-[β-D-Glcp-(1→2)]-α-L-Arap}primulagenin A (CHEBI:65424) has functional parent primulagenin A (CHEBI:70978)
candidoside (CHEBI:69609) has functional parent primulagenin A (CHEBI:70978)
clethroidoside A (CHEBI:69601) has functional parent primulagenin A (CHEBI:70978)
IUPAC Name 
(3β,16α)-olean-12-ene-3,16,28-triol
Synonym  Source
3β,16α,28-trihydroxy-12-oleaneneChEBI
Registry NumbersSources
Reaxys:2065649Reaxys
Citations