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(Q105204868)
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English
Acetic acid [(3aR,4aalpha,7abeta,9aalpha)-2-oxo-3,8-dimethylene-5alpha-hydroxy-5-methyldodecahydroazuleno[6,5-b]furan]-7alpha-yl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(8-Hydroxy-8-methyl-1,5-dimethylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-6-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC(=C)C3C(OC(=O)C)CC(O)(C)C3CC2C1=C
0 references
isomeric SMILES
C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)O
0 references
found in taxon
Arnica acaulis
1 reference
stated in
Sesquiterpene lactones and other constituents of Arnica acaulis
Arnica longifolia
1 reference
stated in
Structure revision of xanthalongin and further sesquiterpene lactones from flowers of Arnica longifolia
Gaillardia pulchella
1 reference
stated in
Structure-Activity Relationships of Pseudoguaianolides Isolated from Gaillardia pulchella and Their Derivatives
Tetraneuris scaposa var. scaposa
1 reference
stated in
Guaianolides, pseudoguaianolides and an aliphatic lactone from Hymenoxys scaposa var. Villosa
Loxothysanus sinuatus
1 reference
stated in
Pseudoguaianolides carabrone derivatives from Loxothysanus sinuatus
Identifiers
InChI
InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h11-15,20H,1-2,5-7H2,3-4H3/t11-,12-,13-,14+,15-,17-/m1/s1
0 references
InChIKey
PAVLVHLOYHESQN-TYVJZBCKSA-N
0 references
PubChem CID
13970260
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PAVLVHLOYHESQN-TYVJZBCKSA-N
UniChem compound ID
96509318
1 reference
stated in
UniChem
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