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(Q105233754)
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English
methyl (4S)-4-[(3aR,7aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 4-(6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentanoate
1 reference
based on heuristic
inferred from SMILES
mass
278.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₄
0 references
canonical SMILES
O=C1OC2CC(=C(CC2C1=C)C(C)CCC(=O)OC)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCC(=O)OC)C[C@H]12
0 references
found in taxon
Iva asperifolia var. angustifolia
2 references
stated in
Constituents of Iva species. VIII. Structure of ivalbin, a modified guaianolide from Iva dealbata
stated in
Constituents of Iva species. IX. Ivangulin, a novel seco-eudesmanolide from Iva angustifolia
Identifiers
InChI
InChI=1S/C16H22O4/c1-9(5-6-15(17)19-4)12-8-13-11(3)16(18)20-14(13)7-10(12)2/h9,13-14H,3,5-8H2,1-2,4H3/t9-,13+,14+/m0/s1
0 references
InChIKey
RCKXDYPRQOIBKT-CUOATXAZSA-N
0 references
PubChem CID
11022241
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34498325
1 reference
stated in
UniChem
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