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(Q105183017)
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English
rel-(1R,3aS,4R,7R,8aR)-1,4-dimethyl-6-methylenedecahydro-4,7-ethanoazulene
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
1,5-dimethyl-9-methylidenetricyclo[6.2.2.0²,⁶]dodecane
1 reference
based on heuristic
inferred from SMILES
isorotundene
1 reference
based on heuristic
inferred from SMILES
mass
204.187800768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄
0 references
canonical SMILES
C=C1CC2(C)CCC1CC3C(C)CCC32
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isomeric SMILES
C=C1C[C@@]2(C)CC[C@@H]1C[C@H]1[C@@H]2CC[C@H]1C
0 references
found in taxon
Cyperus rotundus
2 references
stated in
Chemical study of the essential oil of Cyperus rotundus
stated in
Chemical study of the essential oil of Cyperus rotundus
Identifiers
InChI
InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s1
0 references
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
0 references
PubChem CID
636596
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
UniChem compound ID
52741252
1 reference
stated in
UniChem
NMRShiftDB structure ID
2376
1 reference
matched by identifier from
InChIKey
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
KNApSAcK ID
C00053377
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
LIPID MAPS ID
LMPR0103850001
1 reference
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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