EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219755 - 16alpha-hydroxy-24-methylene-3-oxolanost-8-en-21-oic acid

Default Structure
ChEBI IDCHEBI:219755
ChEBI Name16alpha-hydroxy-24-methylene-3-oxolanost-8-en-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-24,26,32H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1
InChIKeyMUTPNNQAZRJDSK-WMNQUVFJSA-N
Species of MetaboliteComponentSourceComments
Daedalea quercina (ncbitaxon:40437) - DOI (10.1016/s0031-9422(00)00130-8)
ChEBI Ontology
Outgoing Relation(s)
16alpha-hydroxy-24-methylene-3-oxolanost-8-en-21-oic acid (CHEBI:219755) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
24675111ChemSpider