CHEBI:64281 - sclarene

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ChEBI Name sclarene ChEBI ID CHEBI:64281 Definition A diterpene that consists of a labdane skeleton with double bonds at C-8(17), C-13(16) and C-14. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C20H32 Net Charge 0 Average Mass 272.46810 Monoisotopic Mass 272.25040 InChI InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1 InChIKey KYLKKZSVPLUGCC-CMKODMSKSA-N SMILES [H][C@]1(CCC(=C)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C ChEBI Ontology Outgoing sclarene (CHEBI:64281) has parent hydride labdane (CHEBI:36505) sclarene (CHEBI:64281) is a diterpene (CHEBI:35190) IUPAC Name (4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylenepent-4-en-1-yl)decahydronaphthalene Synonyms Sources (+)-sclarene ChEBI Δ8,17.13,16.14-labdatriene ChEBI labda-8(17),13(16),14-triene ChEBI sclarene UniProt Manual Xref Database CPD-14025 MetaCyc View more database links Registry Numbers Types Sources 2523112 Reaxys Registry Number Reaxys 511-02-4 CAS Registry Number Reaxys Citations Types Sources 10793256 PubMed citation Europe PMC 12710734 PubMed citation Europe PMC 20397107 PubMed citation Europe PMC 21404436 PubMed citation Europe PMC IND43636008 Agricola citation Europe PMC Last Modified 26 March 2012