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CHEBI:64281 - sclarene

ChEBI IDCHEBI:64281
ChEBI Namesclarene
Stars
DefinitionA diterpene that consists of a labdane skeleton with double bonds at C-8(17), C-13(16) and C-14.
Last Modified26 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]1(CCC(=C)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C
InChIInChI=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
InChIKeyKYLKKZSVPLUGCC-CMKODMSKSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
(+)-sclareneChEBI
Δ8,17.13,16.14-labdatrieneChEBI
labda-8(17),13(16),14-trieneChEBI
UniProt Name  Source
sclareneUniProt
Manual XrefsDatabases
CPD-14025MetaCyc
Registry NumbersSources
Reaxys:2523112Reaxys
CAS:511-02-4Reaxys
Citations