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CHEBI:203281 - 24(E)-3beta-hydroxylanosta-8,24-dien-26-al-21-oic acid

Default Structure
ChEBI IDCHEBI:203281
ChEBI Name24(E)-3beta-hydroxylanosta-8,24-dien-26-al-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESC/C(C=O)=C\CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H46O4/c1-19(18-31)8-7-9-20(26(33)34)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKeyHOEAACPBPFPKCY-FWBSSNKLSA-N
Species of MetaboliteComponentSourceComments
Hebeloma versipelle (ncbitaxon:246640) - PubMed (16506701)
ChEBI Ontology
Outgoing Relation(s)
24(E)-3beta-hydroxylanosta-8,24-dien-26-al-21-oic acid (CHEBI:203281) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2R)-2-[(3S,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]-6-methyl-7-oxohept-5-enoic acid
Manual XrefsDatabases
9678549ChemSpider