EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70987 - (3β,16α)-13,28-epoxyoleanane-3,16-diol

Default Structure
ChEBI IDCHEBI:70987
ChEBI Name(3β,16α)-13,28-epoxyoleanane-3,16-diol
Stars
ASCII Name(3beta,16alpha)-13,28-epoxyoleanane-3,16-diol
DefinitionA hexacyclic triterpenoid that consists of oleanane substituted by hydroxy groups at 3β and 16α-position and an oxolane bridge at positions 13 and 28.
Last Modified16 November 2012
Submitternamrata
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@]12CC[C@]34OC[C@@]5(CCC(C)(C)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/C30H50O3/c1-24(2)14-15-29-18-33-30(21(29)16-24)13-9-20-26(5)11-10-22(31)25(3,4)19(26)8-12-27(20,6)28(30,7)17-23(29)32/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21+,22-,23+,26-,27+,28-,29+,30-/m0/s1
InChIKeyLFBHIAAGGTTWAT-DNSXXVLGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987) has parent hydride oleanane (CHEBI:36481)
(3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987) is a bridged compound (CHEBI:35990)
(3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987) is a cyclic ether (CHEBI:37407)
(3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987) is a diol (CHEBI:23824)
(3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987) is a hexacyclic triterpenoid (CHEBI:70994)
Incoming Relation(s)
ardisianoside A (CHEBI:65425) has functional parent (3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987)
ardisianoside B (CHEBI:65426) has functional parent (3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987)
ardisianoside C (CHEBI:65427) has functional parent (3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987)
ardisianoside D (CHEBI:65428) has functional parent (3β,16α)-13,28-epoxyoleanane-3,16-diol (CHEBI:70987)
IUPAC Name 
(3β,16α)-13,28-epoxyoleanane-3,16-diol