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CHEBI:78904 - 4,4-dimethyl-8,14-cholestadien-3β-ol

ChEBI IDCHEBI:78904
ChEBI Name4,4-dimethyl-8,14-cholestadien-3β-ol
Stars
ASCII Name4,4-dimethyl-8,14-cholestadien-3beta-ol
DefinitionA cholestanoid that is 5α-cholesta-8,14-dien-3β-ol bearing two additional methyl substituents at position 4.
Last Modified16 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)C3=CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1
InChIKeyOGQJUYXFIOFTMA-PBJLWWPKSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a 3β-sterol (CHEBI:35348)
4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a cholestanoid (CHEBI:50401)
4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming Relation(s)
4,4-dimethyl-8,14-cholestadien-3β-ol derivative (CHEBI:83391) has functional parent 4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904)
IUPAC Name 
4,4-dimethyl-5α-cholesta-8,14-dien-3β-ol
Synonyms  Source
4,4-Dimethylcholesta-8,14-dien-3-olChemIDplus
4,4-Dimethyl-5alpha-cholesta-8,14-diene-3beta-olChemIDplus
(3β,5α)-4,4-dimethylcholesta-8,14-dien-3-olIUPAC
UniProt Name  Source
4,4-dimethyl-8,14-cholestadien-3β-olUniProt
Manual XrefsDatabases
LMST01010277LIPID MAPS
CPD-8609MetaCyc
Registry NumbersSources
Reaxys:3165163Reaxys
CAS:19456-83-8ChemIDplus