EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212186 - 24-methyl-lanost-8,24-dien-23S,26-lactone

Default Structure
ChEBI IDCHEBI:212186
ChEBI Name24-methyl-lanost-8,24-dien-23S,26-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O3
Net Charge0
Average Mass466.706
Monoisotopic Mass466.34470
SMILESCC1=C(C)[C@H](C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)OC1=O
InChIInChI=1S/C31H46O3/c1-18(17-24-19(2)20(3)27(33)34-24)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h18,21,24-25H,9-17H2,1-8H3/t18-,21-,24+,25+,29-,30-,31+/m1/s1
InChIKeyLMVVFTFLNDWZJC-VOIUCBJCSA-N
Species of MetaboliteComponentSourceComments
Rhodofomes cajanderi (ncbitaxon:2066993) - PubMed (16835094)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
24-methyl-lanost-8,24-dien-23S,26-lactone (CHEBI:212186) is a withanolide (CHEBI:74716)
IUPAC Name 
(2S)-3,4-dimethyl-2-[(2R)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propyl]-2H-uran-5-one
Manual XrefsDatabases
78437462ChemSpider