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CHEBI:192966 - 4,4,14alpha-trimethyl-5alpha-cholest-9(11),24-dien-3beta-ol

Default Structure
ChEBI IDCHEBI:192966
ChEBI Name4,4,14alpha-trimethyl-5alpha-cholest-9(11),24-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CCC3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24?,25+,26+,28-,29-,30+/m1/s1
InChIKeyMLVSYGCURCOSKP-ZVXDAELJSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
4,4,14alpha-trimethyl-5alpha-cholest-9(11),24-dien-3beta-ol (CHEBI:192966) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
3571944ChemSpider
LMST01010332LIPID MAPS