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CHEBI:200666 - 3alpha-acetoxy-24-methylene 23-oxylanost-8-en-26-oic ester

Default Structure
ChEBI IDCHEBI:200666
ChEBI Name3alpha-acetoxy-24-methylene 23-oxylanost-8-en-26-oic ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O5
Net Charge0
Average Mass540.785
Monoisotopic Mass540.38147
SMILESC=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C(=O)OC
InChIInChI=1S/C34H52O5/c1-20(19-27(36)21(2)22(3)30(37)38-10)24-13-17-34(9)26-11-12-28-31(5,6)29(39-23(4)35)15-16-32(28,7)25(26)14-18-33(24,34)8/h20,22,24,28-29H,2,11-19H2,1,3-10H3/t20-,22?,24-,28+,29-,32-,33-,34+/m1/s1
InChIKeyAQIVEFDWKFGQPV-XWKSPRTMSA-N
Species of MetaboliteComponentSourceComments
Rhodofomes cajanderi (ncbitaxon:2066993) - PubMed (16835094)
ChEBI Ontology
Outgoing Relation(s)
3alpha-acetoxy-24-methylene 23-oxylanost-8-en-26-oic ester (CHEBI:200666) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (6R)-6-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylidene-4-oxoheptanoate
Manual XrefsDatabases
78436645ChemSpider