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(Q104978824)
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English
(1S,8S,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,5,10-Trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
1 reference
based on heuristic
inferred from SMILES
Hercinolactone
1 reference
based on heuristic
inferred from SMILES
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,8S,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
1 reference
based on heuristic
inferred from InChI
(1S,8R,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=C1OC2C=C(C)CCC3(C)CCC(=C1C)C23
0 references
isomeric SMILES
CC1=C[C@@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@@H]32
0 references
found in taxon
Barbilophozia barbata
1 reference
stated in
Sesqui- and diterpenoids from Ptilidium ciliare and Barbilophozia species (liverworts)
Barbilophozia lycopodioides
2 references
stated in
Hercynolactone, a new carotane sesquiterpenoid from the liverworts barbilophozia lycopodioides and B. Hatcheri. crystal structure analysis.
stated in
Sesqui- and diterpenoids from Ptilidium ciliare and Barbilophozia species (liverworts)
Identifiers
InChI
InChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13-,15-/m0/s1
0 references
InChIKey
DGKFETRFKMWAAU-YDHLFZDLSA-N
0 references
PubChem CID
15818228
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DGKFETRFKMWAAU-YDHLFZDLSA-N
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