EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182601 - 3-Hydroxy-11-ursen-28,13-olide

Default Structure
ChEBI IDCHEBI:182601
ChEBI Name3-Hydroxy-11-ursen-28,13-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC1C2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]2(C=CC2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@]21C)OC3=O
InChIInChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19?,20?,21?,22+,23?,26+,27-,28+,29+,30+/m1/s1
InChIKeyUVBLDLGZDSGCSN-CVTSHMTFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-11-ursen-28,13-olide (CHEBI:182601) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
Manual XrefsDatabases
10242793ChemSpider