CHEBI:63461 - achilleol B

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ChEBI Name achilleol B ChEBI ID CHEBI:63461 Definition A tricyclic triterpenoid formed probably by cyclisation of (3S)-2,3-epoxy-2,3-dihydrosqualene to form an olean-13-yl cation with subsequent cleavage of the 8-14 and 9-10 bonds. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H50O Net Charge 0 Average Mass 426.71740 Monoisotopic Mass 426.38617 InChI InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1 InChIKey OPDQSNQDIGJUIR-FEHKDBFISA-N SMILES [H][C@@]1(CC\C(C)=C\CCC2=C(C)CC[C@@]3(C)CCC(C)(C)C[C@@]23[H])C(=C)CC[C@H](O)C1(C)C ChEBI Ontology Outgoing achilleol B (CHEBI:63461) is a octahydronaphthalenes (CHEBI:138397) achilleol B (CHEBI:63461) is a tricyclic triterpenoid (CHEBI:52340) IUPAC Name (1S,3R)-2,2-dimethyl-4-methylidene-3-{(3E)-3-methyl-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]hex-3-en-1-yl}cyclohexanol Synonym Source achilleol B UniProt Citation Type Source 21526825 PubMed citation SUBMITTER Last Modified 07 September 2017