EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138046 - sesterfisherol

ChEBI IDCHEBI:138046
ChEBI Namesesterfisherol
Stars
DefinitionA tetracyclic sesterterpenoid obtained by by expressing a small gene cluster consisting of a terpene synthase (Nf SS) and a cytochrome P450 monooxygenase (Nf P450).
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H42O
Net Charge0
Average Mass358.610
Monoisotopic Mass358.32357
SMILES[H][C@@]12C[C@]3(O)/C(C)=C4/CC[C@@H](C)[C@]4([H])CC[C@H](C)[C@@]3([H])C[C@@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1
InChIKeyVQMHZILKNHUAMP-AISFCYSSSA-N
ChEBI Ontology
Outgoing Relation(s)
sesterfisherol (CHEBI:138046) is a carbopolycyclic compound (CHEBI:35294)
sesterfisherol (CHEBI:138046) is a sesterterpenoid (CHEBI:26660)
sesterfisherol (CHEBI:138046) is a tertiary allylic alcohol (CHEBI:134397)
IUPAC Name 
(3R,3aS,6S,6aR,7aR,10R,10aS,11aR,12Z)-3,6,7a,12-tetramethyl-10-(propan-2-yl)-2,3,3a,4,5,6,6a,7,7a,8,9,10,10a,11-tetradecahydrocyclopenta[4,5]cycloocta[1,2-f]inden-11a(1H)-ol
UniProt Name  Source
sesterfisherolUniProt
Manual XrefsDatabases
CPD-20216MetaCyc
Registry NumbersSources
Reaxys:28692819Reaxys
Citations