CHEBI:175450 - alpha-Fernenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name alpha-Fernenol
ChEBI ID CHEBI:175450
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3
InChIKey VWYANPOOORUCFJ-UHFFFAOYSA-N
SMILES OC1C(C2C(C=3C(C4(C(C5C(C(CC5)C(C)C)(CC4)C)(CC3)C)C)CC2)(CC1)C)(C)C
ChEBI Ontology
Outgoing alpha-Fernenol (CHEBI:175450) is a triterpenoid (CHEBI:36615)
IUPAC Name
3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Manual Xrefs Databases
539736 ChemSpider
HMDB0034986 HMDB
View more database links