EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212596 - Friedelane-1,3-dione

Default Structure
ChEBI IDCHEBI:212596
ChEBI NameFriedelane-1,3-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESC[C@H]1C(=O)CC(=O)C2[C@]3(C)CC[C@@]4(C)C5CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C30H48O2/c1-19-20(31)17-21(32)24-27(19,5)10-9-22-28(24,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(22,30)7/h19,22-24H,9-18H2,1-8H3/t19-,22?,23?,24?,26+,27+,28+,29+,30-/m0/s1
InChIKeyCIYYAWPHDGBGKJ-PCRRXLPCSA-N
ChEBI Ontology
Outgoing Relation(s)
Friedelane-1,3-dione (CHEBI:212596) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4R,4aR,6aS,6bR,8aR,14aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
Manual XrefsDatabases
78443776ChemSpider