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(Q105359666)
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English
[(3aR,4S,9aR,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6,9-Dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
288.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aS,4S,9aR,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
1 reference
based on heuristic
inferred from InChI
Zuurbergenin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₀O₄
0 references
canonical SMILES
O=C1OC2C3C(=CCC3=C(C)CC(OC(=O)C)C2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)C[C@H](OC(C)=O)[C@@H]12
0 references
found in taxon
Hilliardia zuurbergensis
1 reference
stated in
Ein neues guajanolid aus Matricaria zuurbergensis
Identifiers
InChI
InChI=1S/C17H20O4/c1-8-5-6-12-9(2)7-13(20-11(4)18)15-10(3)17(19)21-16(15)14(8)12/h5,13-16H,3,6-7H2,1-2,4H3/t13-,14+,15+,16+/m0/s1
0 references
InChIKey
YSIJTYIIZIQCSP-ZJIFWQFVSA-N
0 references
PubChem CID
162946340
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSIJTYIIZIQCSP-ZJIFWQFVSA-N
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