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CHEBI:138302 - (12E)-labda-8(17),12,14-triene

ChEBI IDCHEBI:138302
ChEBI Name(12E)-labda-8(17),12,14-triene
Stars
ASCII Name(12E)-labda-8(17),12,14-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 Modified8 November 2017
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+/m0/s1
InChIKeyVJVMMXUPZGOBSN-DIUMXTPXSA-N
ChEBI Ontology
Outgoing Relation(s)
(12E)-labda-8(17),12,14-triene (CHEBI:138302) has parent hydride labdane (CHEBI:36505)
(12E)-labda-8(17),12,14-triene (CHEBI:138302) is a diterpene (CHEBI:35190)
IUPAC Name 
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
Synonyms  Source
5α,9β,10α-labda-8(17),12E,14-trieneMetaCyc
8(17),12E,14-LabdatrieneKNApSAcK
UniProt Name  Source
(12E)-labda-8(17),12,14-trieneUniProt
Manual XrefsDatabases
CPD-20450MetaCyc
C00022775KNApSAcK
Registry NumbersSources
Reaxys:2557623Reaxys
CAS:5957-33-5KNApSAcK
Citations