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(Q104973292)
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Triptiliocoumarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(2,6-Dimethylhepta-1,5-dienyl)-4-ethenyl-4,10-dimethyl-2,3-dihydropyrano[3,2-c]chromen-5-one
1 reference
based on heuristic
inferred from SMILES
mass
378.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,4R)-2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-ethenyl-4,10-dimethyl-2,3-dihydropyrano[3,2-c]chromen-5-one
1 reference
based on heuristic
inferred from InChI
5'-epi-Triptiliocoumarin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₀O₃
0 references
canonical SMILES
O=C1OC2=CC=CC(=C2C=3OC(C=C(C)CCC=C(C)C)CC(C=C)(C13)C)C
0 references
isomeric SMILES
C=C[C@@]1(C)C[C@@H](/C=C(\C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21
0 references
found in taxon
Nassauvia digitata
1 reference
stated in
5-Methyl coumarins and a new phenol from Nassauvia pyramidalis and N. digitata
Triptilion benaventei
1 reference
stated in
5-methyl coumarins and chromones from Triptilion species
Nassauvia pygmaea
1 reference
stated in
5-methylcoumarins from Nassauvia species
Identifiers
InChI
InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3/b17-14+/t19-,25+/m1/s1
0 references
InChIKey
CZZAJXDYJLEVJF-IVKXXKMFSA-N
0 references
PubChem CID
14104248
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CZZAJXDYJLEVJF-IVKXXKMFSA-N
UniChem compound ID
96960512
1 reference
stated in
UniChem
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