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CHEBI:138301 - labda-7,13(16),14-triene

ChEBI IDCHEBI:138301
ChEBI Namelabda-7,13(16),14-triene
Stars
DefinitionA diterpene derived from labdane by dehydrogenation across the C(7)‒C(8), C(13)‒C(16) and C(14)‒C(15) bonds.
Last Modified7 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12CC=C(C)[C@H](CCC(=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/h7,10,17-18H,1-2,8-9,11-14H2,3-6H3/t17-,18-,20+/m0/s1
InChIKeyKRSHQVOXPYIJQR-CMKODMSKSA-N
ChEBI Ontology
Outgoing Relation(s)
labda-7,13(16),14-triene (CHEBI:138301) has parent hydride labdane (CHEBI:36505)
labda-7,13(16),14-triene (CHEBI:138301) is a diterpene (CHEBI:35190)
IUPAC Name 
(4aS,5S,8aS)-1,1,4a,6-tetramethyl-5-(3-methylidenepent-4-en-1-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene
UniProt Name  Source
labda-7,13(16),14-trieneUniProt
Manual XrefsDatabases
CPD-20449MetaCyc
Registry NumbersSources
Reaxys:30236072Reaxys
Citations