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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4-dimethyl-8,14-cholestadien-3β-ol
ChEBI ID CHEBI:78904
ChEBI ASCII Name 4,4-dimethyl-8,14-cholestadien-3beta-ol
Definition A cholestanoid that is 5α-cholesta-8,14-dien-3β-ol bearing two additional methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.69080
Monoisotopic Mass 412.37052
InChI InChI=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
InChIKey OGQJUYXFIOFTMA-PBJLWWPKSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
ChEBI Ontology
Outgoing 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 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 Sources
(3β,5α)-4,4-dimethylcholesta-8,14-dien-3-ol IUPAC
4,4-Dimethyl-5alpha-cholesta-8,14-diene-3beta-ol ChemIDplus
4,4-dimethyl-8,14-cholestadien-3β-ol UniProt
4,4-Dimethylcholesta-8,14-dien-3-ol ChemIDplus
Manual Xrefs Databases
CPD-8609 MetaCyc
LMST01010277 LIPID MAPS
View more database links
Registry Numbers Types Sources
19456-83-8 CAS Registry Number ChemIDplus
3165163 Reaxys Registry Number Reaxys
Last Modified
16 January 2023