EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205249 - 12beta-Acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:205249
ChEBI Name12beta-Acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O9
Net Charge0
Average Mass570.679
Monoisotopic Mass570.28288
SMILESCC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H](/C(C)=C\C(=O)CC(C)C(=O)O)[C@@]12C
InChIInChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h11,16,19-21,27,35H,9-10,12-14H2,1-8H3,(H,39,40)/b15-11-/t16?,19-,20+,21+,27-,30+,31+,32+/m1/s1
InChIKeyDKZXEHHGZYVJLI-DEUPEMGMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (20615519)
ChEBI Ontology
Outgoing Relation(s)
12beta-Acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid (CHEBI:205249) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid
Manual XrefsDatabases
28648855ChemSpider