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(Q104399522)
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English
2-(3-Bromo-4-chloro-4-methylcyclohexyl)-2,6,6-trimethylpyran-3-one
group of stereoisomers with the chemical formula C₁₅H₂₂BrClO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
bisabolanes
1 reference
inferred from
bisabolanes
mass
348.049169724
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂BrClO₂
0 references
canonical SMILES
O=C1C=CC(OC1(C)C2CCC(Cl)(C)C(Br)C2)(C)C
0 references
found in taxon
Porella swartziana
5 references
stated in
Africane-type sesquiterpenoids from the Argentine liverwort Porella swartziana and their antibacterial activity
stated in
Structure of secoswartzianins A and B isolated from the liverwort Porella swartziana
stated in
Novel sesquiterpenoids from the Colombian liverwort Porella swartziana
stated in
Revised structure of caespitenone isolated from the liverwort Porella caespitans var. setigera and Porella swartziana
stated in
Studies on the structure of the sesquiterpene caespitenone isolated from Porella species of liverwort
Porella caespitans
1 reference
stated in
Studies on the structure of the sesquiterpene caespitenone isolated from Porella species of liverwort
Porella grandiloba
1 reference
stated in
Grandilobalides A, B and C, sesquiterpenes from the liverwort Porella grandiloba
Porella subobtusa
2 references
stated in
Sesqui- and diterpenoids from two Japanese and three European liverworts
stated in
Africane- and monocyclofarnesane-type sesquiterpenoids from the liverwort Porella subobtusa
Identifiers
InChI
InChI=1S/C15H22BrClO2/c1-13(2)7-6-12(18)15(4,19-13)10-5-8-14(3,17)11(16)9-10/h6-7,10-11H,5,8-9H2,1-4H3
0 references
InChIKey
PXPRNVNJRBIVSF-UHFFFAOYSA-N
0 references
PubChem CID
14314416
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PXPRNVNJRBIVSF-UHFFFAOYSA-N
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