EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205832 - Butyl lucidenate D2

Default Structure
ChEBI IDCHEBI:205832
ChEBI NameButyl lucidenate D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O8
Net Charge0
Average Mass570.723
Monoisotopic Mass570.31927
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)CCC(=O)C(C)(C)C1CC3=O
InChIInChI=1S/C33H46O8/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/h18,20,22,29H,9-17H2,1-8H3/t18-,20-,22?,29-,31+,32+,33+/m1/s1
InChIKeyDGDZKQQCSYXYAZ-YGWKKTPTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (23357630)
ChEBI Ontology
Outgoing Relation(s)
Butyl lucidenate D2 (CHEBI:205832) is a triterpenoid (CHEBI:36615)
IUPAC Name 
butyl (4R)-4-[(10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Manual XrefsDatabases
78439764ChemSpider