Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Lemongrass oil 6850743
Structure Other Information
Canonical SMILES CC(CCC=C(C)C)C=C.CC(=CCC/C(=C\CO)/C)C.CC(=CCC/C(=C\C=O)/C)C.C[C@]12CC[C@H](C1(C)C)CC2O.COC1=C(C=C(C=C1)CC=C)OC
Iso SMILES CC(CCC=C(C)C)C=C.CC(=CCC/C(=C\CO)/C)C.CC(=CCC/C(=C\C=O)/C)C.C[C@]12CC[C@H](C1(C)C)CC2O.COC1=C(C=C(C=C1)CC=C)OC
InChI InChI=1S/C11H14O2.2C10H18O.C10H16O.C10H18/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-9(2)7-4-5-10(9,3)8(11)6-7;2*1-9(2)5-4-6-10(3)7-8-11;1-5-10(4)8-6-7-9(2)3/h4,6-8H,1,5H2,2-3H3;7-8,11H,4-6H2,1-3H3;5,7,11H,4,6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;5,7,10H,1,6,8H2,2-4H3/b;;2*10-7-;/t;7-,8?,10+;;;/m.0.../s1
InChI Key PGGUYIATKYHYBE-TXQHLEIUSA-N
Formula C51H84O5
Mol Weight 777.2
XlogP3 0
Charge 0

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Synonyms Information
CAS Name 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
IUPAC Name 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Openeye Name 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Systematic Name 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Tratitional Name 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol