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(Q105312706)
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English
(3aS,6abeta,9bbeta)-Dodecahydro-9beta-acetoxy-3-methylene-6alpha,9aalpha-dimethylazuleno[4,5-b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pseudoguaiane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
292.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₄
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(C)C3CCC(OC(=O)C)C23C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CC[C@@H](OC(C)=O)[C@]12C
0 references
found in taxon
Parthenium hysterophorus
1 reference
stated in
Chemotaxonomy of Parthenium: P. Hysterophorus—P. Glomeratum
Identifiers
InChI
InChI=1S/C17H24O4/c1-9-5-6-12-10(2)16(19)21-15(12)17(4)13(9)7-8-14(17)20-11(3)18/h9,12-15H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15+,17-/m0/s1
0 references
InChIKey
WTPXBYUFGATDOT-XAQSCWMJSA-N
0 references
PubChem CID
9971587
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTPXBYUFGATDOT-XAQSCWMJSA-N
UniChem compound ID
32336164
1 reference
stated in
UniChem
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