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(Q105213161)
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English
(3S,3aS,5aS,6S,8S,9R,9aS,9bS)-6,8,9-trihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6,8,9-trihydroxy-3,5a,9-trimethyl-octahydro-3H-naphtho[1,2-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
(3S,3aS,5aS,6S,8S,9R,9bS)-6,8,9-trihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
284.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O₅
0 references
canonical SMILES
O=C1OC2C(CCC3(C)C(O)CC(O)C(O)(C)C23)C1C
0 references
isomeric SMILES
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O)C[C@H](O)[C@](C)(O)[C@H]21
0 references
found in taxon
Tanacetum sinaicum
2 references
stated in
Sesquiterpene lactones from Pyrethrum santolinoides
stated in
Sesquiterpene lactones from Pyrethrum santolinoides
Identifiers
InChI
InChI=1S/C15H24O5/c1-7-8-4-5-14(2)9(16)6-10(17)15(3,19)12(14)11(8)20-13(7)18/h7-12,16-17,19H,4-6H2,1-3H3/t7-,8-,9-,10-,11-,12+,14+,15-/m0/s1
0 references
InChIKey
PQCKIAITDYKYFQ-PCUGHVGPSA-N
0 references
PubChem CID
14194096
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PQCKIAITDYKYFQ-PCUGHVGPSA-N
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