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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3β,16α)-13,28-epoxyoleanane-3,16-diol
ChEBI ID CHEBI:70987
ChEBI ASCII Name (3beta,16alpha)-13,28-epoxyoleanane-3,16-diol
Definition A hexacyclic triterpenoid that consists of oleanane substituted by hydroxy groups at 3β and 16α-position and an oxolane bridge at positions 13 and 28.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O3
Net Charge 0
Average Mass 458.71620
Monoisotopic Mass 458.37600
InChI InChI=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
InChIKey LFBHIAAGGTTWAT-DNSXXVLGSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]45OC[C@@]6(CCC(C)(C)C[C@@]46[H])[C@H](O)C[C@@]35C)[C@@]1(C)CC[C@H](O)C2(C)C
ChEBI Ontology
Outgoing (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 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
Last Modified
16 November 2012