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(Q105341006)
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English
methyl 2-[(2R,4aR,8aR)-8a-hydroperoxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 2-[(2R,8aR)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
1 reference
based on heuristic
inferred from SMILES
methyl 2-(8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1H-naphthalen-2-yl)prop-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
280.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl 2-[(2R,4aR,8aS)-8a-hydroperoxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₄O₄
0 references
canonical SMILES
O=C(OC)C(=C)C1CCC2(C)CCCC(=C)C2(OO)C1
0 references
isomeric SMILES
C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(OO)C1
0 references
found in taxon
Eriocephalus pauperrimus
2 references
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
Ursinia eckloniana
1 reference
stated in
Sesquiterpene lactones and other constituents from Ursinia species
Identifiers
InChI
InChI=1S/C16H24O4/c1-11-6-5-8-15(3)9-7-13(10-16(11,15)20-18)12(2)14(17)19-4/h13,18H,1-2,5-10H2,3-4H3/t13-,15-,16-/m1/s1
0 references
InChIKey
XSFRJTINOXLAHU-FVQBIDKESA-N
0 references
PubChem CID
13895705
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XSFRJTINOXLAHU-FVQBIDKESA-N
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