EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199206 - 3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid

Default Structure
ChEBI IDCHEBI:199206
ChEBI Name3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O7
Net Charge0
Average Mass570.767
Monoisotopic Mass570.35565
SMILESCC(=O)O[C@H]1C[C@H](C(C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CCC4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C
InChIInChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25-,26-,27?,28-,29+,32-,33-,34-/m1/s1
InChIKeyXITBGHDSLKRVMR-GJGAYOQOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (21401205)
ChEBI Ontology
Outgoing Relation(s)
3a, 15a-diacetoxy-22a-hydroxylanosta-7,9(11),24-trien-26-oic acid (CHEBI:199206) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5R)-6-[(3R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-2-methylhept-2-enoic acid
Manual XrefsDatabases
78439599ChemSpider