humulene
Molecular Formula:
C15H24
InChI: InChI=1/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
InChIKey: InChIKey=FAMPSKZZVDUYOS-HRGUGZIWBF
SMILES: C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1
CAS number 6753-98-6
Names:
Humulene
humulene
α-caryophyllene
α-humulene
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
(1E,4E,8E)-humula-1(11),4,8-triene
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
.alpha.-Caryophyllene
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
Registries:
PubChem CID 5281520
Beilstein =1864446
CAS 6753-98-6 (from NIST)
ChEBI 5768
Gmelin 261515
Kegg C09684
PubChem ID 10374596
PubChem ID 11874
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