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CHEBI:71262 - (3β,16α)-13,28-epoxyoleanane-3,16,30-triol

ChEBI IDCHEBI:71262
ChEBI Name(3β,16α)-13,28-epoxyoleanane-3,16,30-triol
Stars
ASCII Name(3beta,16alpha)-13,28-epoxyoleanane-3,16,30-triol
DefinitionA hexacyclic triterpenoid that consists of oleanane substituted by hydroxy groups at 3β, 16α and C-30 positions and an oxolane bridge across positions 13 and 28.
Last Modified12 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@]12CC[C@]34OC[C@@]5(CC[C@](C)(CO)C[C@]53[H])[C@H](O)C[C@@]4(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O4/c1-24(2)19-7-11-27(5)20(26(19,4)10-9-22(24)32)8-12-30-21-15-25(3,17-31)13-14-29(21,18-34-30)23(33)16-28(27,30)6/h19-23,31-33H,7-18H2,1-6H3/t19-,20+,21+,22-,23+,25-,26-,27+,28-,29+,30-/m0/s1
InChIKeyAAXANNQJCBNQMB-GFRLSDCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262) has parent hydride oleanane (CHEBI:36481)
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262) is a bridged compound (CHEBI:35990)
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262) is a cyclic ether (CHEBI:37407)
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262) is a hexacyclic triterpenoid (CHEBI:70994)
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262) is a triol (CHEBI:27136)
Incoming Relation(s)
ardisianoside E (CHEBI:65429) has functional parent (3β,16α)-13,28-epoxyoleanane-3,16,30-triol (CHEBI:71262)
IUPAC Name 
(3β,16α)-13,28-epoxyoleanane-3,16,30-triol