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English
Leonotin
group of stereoisomers with the chemical formula C₂₀H₂₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C1OC2CC(O)(C)C(O)(CCC3=COC=C3)C4(C)CCCC1(C)C24
0 references
isomeric SMILES
C[C@]12CCC[C@@]3(C)C1[C@@H](C[C@](C)(O)[C@]3(O)CCc1ccoc1)OC2=O
0 references
found in taxon
Leonurus
1 reference
stated in
Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds
Leonurus sibiricus
1 reference
stated in
Studies on the Constituents of Leonurus sibiricus L.
Identifiers
InChI
InChI=1S/C20H28O5/c1-17-7-4-8-18(2)15(17)14(25-16(17)21)11-19(3,22)20(18,23)9-5-13-6-10-24-12-13/h6,10,12,14-15,22-23H,4-5,7-9,11H2,1-3H3/t14-,15?,17+,18+,19+,20+/m1/s1
0 references
InChIKey
FJNCXZZQNBKEJT-LIFSKISDSA-N
0 references
PubChem CID
101306752
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FJNCXZZQNBKEJT-LIFSKISDSA-N
UniChem compound ID
96529078
1 reference
stated in
UniChem
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