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(Q105120782)
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English
methyl 2-[(4aR,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl)prop-2-enoate
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=C(OC)C(=C)C1=CC2(C)C(CC1=O)CCC(O)C2C
0 references
isomeric SMILES
C=C(C(=O)OC)C1=C[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)CC1=O
0 references
found in taxon
Petasites japonicus
1 reference
stated in
Eremophilenolides from petasites japonicus
Identifiers
InChI
InChI=1S/C16H22O4/c1-9(15(19)20-4)12-8-16(3)10(2)13(17)6-5-11(16)7-14(12)18/h8,10-11,13,17H,1,5-7H2,2-4H3/t10-,11+,13-,16+/m0/s1
0 references
InChIKey
IUQWADKHTZKHCO-NGOBNIPXSA-N
0 references
PubChem CID
21602836
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IUQWADKHTZKHCO-NGOBNIPXSA-N
UniChem compound ID
48565423
1 reference
stated in
UniChem
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