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(Q104958975)
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English
(3aS,5S,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3aS,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
5-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,5R,6E,10E,11aS)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Haageanolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,5S,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2C=C(C)CCC=C(C)C(O)CC2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)C[C@@H]12
0 references
found in taxon
Inula helenium
1 reference
stated in
New sesquiterpene lactones from Inula species
Inula royleana
1 reference
stated in
New sesquiterpene lactones from Inula species
Pluchea dioscoridis
1 reference
stated in
New .ALPHA.-cyclocostunolide and isocostic acid derivatives from Pluchea dioscoridis.
Identifiers
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-10(2)13(16)8-12-11(3)15(17)18-14(12)7-9/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13-,14+/m0/s1
0 references
InChIKey
CHKPFVHCBRAVJP-MHCGRXEOSA-N
0 references
PubChem CID
13817190
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CHKPFVHCBRAVJP-MHCGRXEOSA-N
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