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CHEBI:67182 - sporulenol

Default Structure
ChEBI IDCHEBI:67182
ChEBI Namesporulenol
Stars
DefinitionA pentacyclic sesquarterpene isolated from Bacillus subtilis and formed by cyclisation of (R)-tetraprenyl-β-curcumene (CHEBI:64801).
Last Modified24 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC35H58O
Net Charge0
Average Mass494.848
Monoisotopic Mass494.44877
SMILES[H][C@]12CC[C@]3(C)[C@@H](CC[C@@H](C)C4=CCC(C)=CC4)[C@](C)(O)CC[C@@]3([H])[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3/t25-,27+,28-,29+,30-,32+,33-,34+,35-/m1/s1
InChIKeyXKBZJGQFALBSTF-HVUBKZQBSA-N
ChEBI Ontology
Outgoing Relation(s)
sporulenol (CHEBI:67182) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
(2R,4aS,4bR,6aS,10aS,10bR,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[(3R)-3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]octadecahydrochrysen-2-ol
UniProt Name  Source
sporulenolUniProt
Citations