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(Q105328939)
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English
(4S)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-15-one
1 reference
based on heuristic
inferred from SMILES
mass
312.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4R)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₀O₄
0 references
canonical SMILES
O=C1OC=2C(C=C1)=C3OC(C)C(C3=C4OC(C=CC24)(C)C)(C)C
0 references
isomeric SMILES
C[C@@H]1Oc2c(c3c(c4oc(=O)ccc24)C=CC(C)(C)O3)C1(C)C
0 references
found in taxon
Citrus hassaku
1 reference
stated in
New Coumarins from Citrus Plants.
Citrus medica
1 reference
stated in
New Coumarins from Citrus Plants.
Citrus medica var. sarcodactylis
1 reference
stated in
New Coumarins from Citrus Plants.
Identifiers
InChI
InChI=1S/C19H20O4/c1-10-19(4,5)14-16(21-10)11-6-7-13(20)22-15(11)12-8-9-18(2,3)23-17(12)14/h6-10H,1-5H3/t10-/m0/s1
0 references
InChIKey
XJGSKSKCCPKGNZ-JTQLQIEISA-N
0 references
PubChem CID
163193433
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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