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CHEBI:64293 - copal-8-ol diphosphate

ChEBI IDCHEBI:64293
ChEBI Namecopal-8-ol diphosphate
Stars
DefinitionA diterpenyl phosphate in which the diterpenyl fragment is specified as copal-8-ol-15-yl.
Last Modified27 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC20H38O8P2
Net Charge0
Average Mass468.464
Monoisotopic Mass468.20419
SMILES[H][C@@]12CC[C@@](C)(O)[C@H](CC/C(C)=C/COP(=O)(O)OP(=O)(O)O)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/b15-10+/t16-,17+,19-,20+/m0/s1
InChIKeyZDGVATANBJCRHY-NUKBDRAPSA-N
ChEBI Ontology
Outgoing Relation(s)
copal-8-ol diphosphate (CHEBI:64293) is a diterpenyl phosphate (CHEBI:36772)
copal-8-ol diphosphate (CHEBI:64293) is a labdane diterpenoid (CHEBI:36770)
copal-8-ol diphosphate (CHEBI:64293) is conjugate acid of copal-8-ol diphosphate(3−) (CHEBI:64283)
Incoming Relation(s)
copal-8-ol diphosphate(3−) (CHEBI:64283) is conjugate base of copal-8-ol diphosphate (CHEBI:64293)
IUPAC Name 
(2E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate