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CHEBI:208314 - 3alpha-hydroxy-24-methylene-23-oxolanost-8-en-26-carboxylic acid

Default Structure
ChEBI IDCHEBI:208314
ChEBI Name3alpha-hydroxy-24-methylene-23-oxolanost-8-en-26-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
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](O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O
InChIInChI=1S/C31H48O4/c1-18(17-24(32)19(2)20(3)27(34)35)21-11-15-31(8)23-9-10-25-28(4,5)26(33)13-14-29(25,6)22(23)12-16-30(21,31)7/h18,20-21,25-26,33H,2,9-17H2,1,3-8H3,(H,34,35)/t18-,20?,21-,25+,26-,29-,30-,31+/m1/s1
InChIKeyXRFPNJNRVLDUTB-CRPPMEMTSA-N
Species of MetaboliteComponentSourceComments
Rhodofomes roseus (ncbitaxon:34475) - PubMed (19264113)
ChEBI Ontology
Outgoing Relation(s)
3alpha-hydroxy-24-methylene-23-oxolanost-8-en-26-carboxylic acid (CHEBI:208314) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-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-oxoheptanoic acid
Manual XrefsDatabases
78437363ChemSpider