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CHEBI:63707 - syn-labda-8(17),12E,14-triene

ChEBI IDCHEBI:63707
ChEBI Namesyn-labda-8(17),12E,14-triene
Stars
ASCII Namesyn-labda-8(17),12E,14-triene
DefinitionA diterpene derived from labdane by dehydrogenation across the C(8)‒C(17), C(12)‒C(13) and C(14)‒C(15) bonds.
Last Modified15 January 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12CCC(=C)[C@@H](C/C=C(\C)C=C)[C@@]1(C)CCCC2(C)C
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/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20-/m1/s1
InChIKeyVJVMMXUPZGOBSN-URKRXPPWSA-N
ChEBI Ontology
Outgoing Relation(s)
syn-labda-8(17),12E,14-triene (CHEBI:63707) has parent hydride labdane (CHEBI:36505)
syn-labda-8(17),12E,14-triene (CHEBI:63707) is a diterpene (CHEBI:35190)
IUPAC Name 
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
Synonym  Source
5α,9α,10β-labda-8(17),12E,14-trieneChEBI
UniProt Name  Source
(12E)-9α-labda-8(17),12,14-trieneUniProt
Manual XrefsDatabases
CPD-13868MetaCyc
Registry NumbersSources
Reaxys:22213063Reaxys
Citations