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(Q105111554)
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English
(3aR,7aR)-Octahydro-4beta-hydroxy-3-methylene-2-oxo-6-vinyl-7alpha-[1-(acetoxymethyl)ethenyl]benzofuran-6alpha-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(6-ethenyl-6-formyl-4-hydroxy-3-methylidene-2-oxo-4,5,7,7a-tetrahydro-3aH-1-benzofuran-7-yl)prop-2-enyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
320.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀O₆
0 references
canonical SMILES
O=CC1(C=C)CC(O)C2C(=C)C(=O)OC2C1C(=C)COC(=O)C
0 references
isomeric SMILES
C=C[C@]1(C=O)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O
0 references
found in taxon
Dicoma tomentosa
1 reference
stated in
Sesquiterpene lactones from Dicoma species
Identifiers
InChI
InChI=1S/C17H20O6/c1-5-17(8-18)6-12(20)13-10(3)16(21)23-15(13)14(17)9(2)7-22-11(4)19/h5,8,12-15,20H,1-3,6-7H2,4H3/t12-,13+,14+,15-,17+/m0/s1
0 references
InChIKey
IDUZLPMKHHAHHO-SOXILONMSA-N
0 references
PubChem CID
101872087
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IDUZLPMKHHAHHO-SOXILONMSA-N
UniChem compound ID
97136051
1 reference
stated in
UniChem
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