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CHEBI:71575 - friedelane

ChEBI IDCHEBI:71575
ChEBI Namefriedelane
Stars
DefinitionA triterpene that is docosahydropicene substituted by 8 methyl groups at positions 2, 2, 4a, 6a, 8a, 9, 12b and 14a.
Last Modified23 November 2016
Submitternamrata
DownloadsMolfile
FormulaC30H52
Net Charge0
Average Mass412.746
Monoisotopic Mass412.40690
SMILES[H][C@]12CC[C@]3(C)[C@@H](C)CCC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]21C
InChIInChI=1S/C30H52/c1-21-10-9-11-22-27(21,5)13-12-23-28(22,6)17-19-30(8)24-20-25(2,3)14-15-26(24,4)16-18-29(23,30)7/h21-24H,9-20H2,1-8H3/t21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
InChIKeyKVSNMTUIMXZPLU-XOZXFAFYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
friedelane (CHEBI:71575) has role metabolite (CHEBI:25212)
friedelane (CHEBI:71575) is a triterpene (CHEBI:35191)
Incoming Relation(s)
28,29-dihydroxyfriedelan-3-one (CHEBI:65788) has parent hydride friedelane (CHEBI:71575)
29-hydroxyfriedelan-3-one (CHEBI:132374) has parent hydride friedelane (CHEBI:71575)
cangoronin (CHEBI:132380) has parent hydride friedelane (CHEBI:71575)
canophyllal (CHEBI:132345) has parent hydride friedelane (CHEBI:71575)
orthosphenic acid (CHEBI:132615) has parent hydride friedelane (CHEBI:71575)
salaspermic acid (CHEBI:66153) has parent hydride friedelane (CHEBI:71575)
wilforic acid C (CHEBI:132375) has parent hydride friedelane (CHEBI:71575)
IUPAC Name 
(4aR,6aR,6bS,8aR,9S,12aR,12bS,14aS,14bR)-2,2,4a,6a,8a,9,12b,14a-octamethyldocosahydropicene
Registry NumbersSources
Reaxys:2055185Reaxys
Citations