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(Q76535286)
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Patchoula-2,4-diene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene
1 reference
based on heuristic
inferred from SMILES
mass
202.172150704
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,7R,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂
0 references
canonical SMILES
C1=CC23C(=C1C)CC(CCC2C)C3(C)C
0 references
isomeric SMILES
C[C@@H]1CC[C@@H]2CC3=C(C=C[C@]13C2(C)C)C
0 references
found in taxon
Cyperus alopecuroides
2 references
stated in
Sesquiterpenes from the essential oil of Cyperus alopecuroides
stated in
Constituents of the essential oil of Cyperus alopecuroides
Identifiers
InChI
InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1
0 references
InChIKey
DPHLFUXQEZYZAP-JMSVASOKSA-N
0 references
PubChem CID
42608161
1 reference
matched by identifier from
InChIKey
InChIKey
DPHLFUXQEZYZAP-JMSVASOKSA-N
ChEBI ID
230344
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1
UniChem compound ID
44153584
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR0103450001
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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