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CHEBI:166681 - 4,4-Dimethyl-14a-formyl-5alpha-cholesta-8,24-dien-3beta-ol

ChEBI IDCHEBI:166681
ChEBI Name4,4-Dimethyl-14a-formyl-5alpha-cholesta-8,24-dien-3beta-ol
Stars
Last Modified21 December 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3(C=O)CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1
InChIKeyPGGIMLIQOHYFIS-PUXRVUTHSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4-Dimethyl-14a-formyl-5alpha-cholesta-8,24-dien-3beta-ol (CHEBI:166681) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carbaldehyde
UniProt Name  Source
32-oxolanosterolUniProt
Manual XrefsDatabases
19983548ChemSpider
HMDB0062378HMDB
LMST01010222LIPID MAPS
Registry NumbersSources
CAS:79294-83-0ChemIDplus