EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207357 - (24E)-3beta-acetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207357
ChEBI Name(24E)-3beta-acetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3
InChIInChI=1S/C32H50O6/c1-18(10-9-11-19(2)28(36)37)22-16-25(35)32(8)27-21(12-15-31(22,32)7)30(6)14-13-26(38-20(3)33)29(4,5)24(30)17-23(27)34/h11,18,22-26,34-35H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11+/t18-,22-,23-,24+,25+,26+,30-,31-,32+/m1/s1
InChIKeyOYHXDUWERFEPRP-GAJNJCMXSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(24E)-3beta-acetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid (CHEBI:207357) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-7,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438943ChemSpider