CHEBI:61677 - (+)-α-santalene

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ChEBI Name (+)-α-santalene ChEBI ID CHEBI:61677 ChEBI ASCII Name (+)-alpha-santalene Definition A sesquiterpene consisting of a tricyclo[2.2.1.02,6]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1S,2R,4S,6R,7R diastereoisomer). 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 C15H24 Net Charge 0 Average Mass 204.35110 Monoisotopic Mass 204.18780 InChI InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1 InChIKey KWFJIXPIFLVMPM-KHMAMNHCSA-N SMILES [H][C@]12C[C@]3([H])[C@@]([H])(C1)[C@]3(C)[C@]2(C)CCC=C(C)C ChEBI Ontology Outgoing (+)-α-santalene (CHEBI:61677) is a bridged compound (CHEBI:35990) (+)-α-santalene (CHEBI:61677) is a sesquiterpene (CHEBI:35189) Incoming α-santalenoic acid (CHEBI:131503) has parent hydride (+)-α-santalene (CHEBI:61677) IUPAC Name (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.02,6]heptane Synonyms Sources (+)-α-santalene UniProt α-santalene ChEBI Manual Xrefs Databases C00021850 KNApSAcK CPD-11377 MetaCyc HMDB0034939 HMDB View more database links Registry Number Type Source 3195968 Reaxys Registry Number Reaxys Citation Type Source 19155349 PubMed citation Europe PMC Last Modified 15 November 2016