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(Q105205513)
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English
(3S,3aS,6S,6aR,9aR,9bS)-6-hydroxy-6-(hydroxymethyl)-3-methyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-6-(hydroxymethyl)-3-methyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aS,6S,6aR,9aR,9bS)-6-hydroxy-6-(hydroxymethyl)-3-methyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aS,6R,6aR,9aR,9bS)-6-hydroxy-6-(hydroxymethyl)-3-methyl-9-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2C3C(=C)CCC3C(O)(CO)CCC2C1C
0 references
isomeric SMILES
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@@]2(O)CO
0 references
found in taxon
Dolomiaea souliei
2 references
stated in
Sesquiterpene lactones from Vladimiria souliei
stated in
Sesquiterpene lactones from Vladimiria souliei
lettuce
1 reference
stated in
Isolation and characterisation of the sesquiterpene lactones from Lactuca sativa L var. anagustata
Identifiers
InChI
InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10-,11+,12-,13-,15+/m0/s1
0 references
InChIKey
PBXKFMXJVNEHCU-MRWSCNBVSA-N
0 references
PubChem CID
162987593
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBXKFMXJVNEHCU-MRWSCNBVSA-N
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