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Reference substances

Currently viewing:
IUPAC name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene

Inventory

EC number:
201-746-1
EC name:
Caryophyllene
CAS number:
87-44-5
CAS number:
87-44-5
Synonyms
Names:
(E)-beta caryophyllene
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R,4E,9S)]-
Identifier:
IUPAC name
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Identifier:
other: SMILES notation
C=C2CCC=C(C)CC[C@@H]1[C@@H]2CC1(C)C
Identifier:
other: InChl
InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3

Molecular and structural information

Molecular formula:
C15H24
Molecular weight:
204.36
SMILES notation:
[H][C@]12CC(C)(C)[C@@H]1CC\C(C)=C/CCC2=C
InChl:
InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/s2
Structural formula:
Chemical structure

Related substances

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Identifier:
CAS number
Identity:
13877-93-5
Identifier:
IUPAC name
Identity:
(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene