CHEBI:71575 - friedelane

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ChEBI Name friedelane
ChEBI ID CHEBI:71575
Definition A triterpene that is docosahydropicene substituted by 8 methyl groups at positions 2, 2, 4a, 6a, 8a, 9, 12b and 14a.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H52
Net Charge 0
Average Mass 412.73390
Monoisotopic Mass 412.40690
InChI InChI=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
InChIKey KVSNMTUIMXZPLU-XOZXFAFYSA-N
SMILES [H][C@@]12CCC[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]12C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing friedelane (CHEBI:71575) has role metabolite (CHEBI:25212)
friedelane (CHEBI:71575) is a triterpene (CHEBI:35191)
Incoming 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 Number Type Source
2055185 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22224263 PubMed citation Europe PMC
Last Modified
23 November 2016