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(Q105143558)
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English
[(1S,2S,4aR,8aR)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1-Hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-O-Angeloylcuauhtemone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 2-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,2R,4aS,8aS)-1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C(OC1CCC2(C)CC(=O)C(=C(C)C)CC2C1(O)C)C(=CC)C
0 references
isomeric SMILES
C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O
0 references
found in taxon
Pluchea sagittalis
2 references
stated in
Eudesmane derivatives from Pluchea quitoc
stated in
Neue eudesman-derivate aus Pluchea suaveolens
Neurolaena lobata
1 reference
stated in
Cuauthemone derivatives from Tessaria integrifolia and Pluchea symphytifolia
Identifiers
InChI
InChI=1S/C20H30O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,16-17,23H,8-11H2,1-6H3/b13-7-/t16-,17+,19-,20+/m1/s1
0 references
InChIKey
KNSVBXYIPSLXCS-KQSOIWLMSA-N
0 references
PubChem CID
162911243
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KNSVBXYIPSLXCS-KQSOIWLMSA-N
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