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CHEBI:210198 - Butyl lucidenate E2

Default Structure
ChEBI IDCHEBI:210198
ChEBI NameButyl lucidenate E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O8
Net Charge0
Average Mass572.739
Monoisotopic Mass572.33492
SMILESCCCCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
InChIInChI=1S/C33H48O8/c1-9-10-15-40-25(38)12-11-18(2)20-16-24(37)33(8)26-21(35)17-22-30(4,5)23(36)13-14-31(22,6)27(26)28(39)29(32(20,33)7)41-19(3)34/h18,20,22-23,29,36H,9-17H2,1-8H3/t18-,20-,22?,23+,29-,31+,32+,33+/m1/s1
InChIKeyGEKHMMSACYDGPN-ODXCNMBOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (23357630)
ChEBI Ontology
Outgoing Relation(s)
Butyl lucidenate E2 (CHEBI:210198) is a triterpenoid (CHEBI:36615)
IUPAC Name 
butyl (4R)-4-[(3S,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Manual XrefsDatabases
78439717ChemSpider