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(Q82123166)
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Leonotinin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-[2-(Furan-3-yl)ethyl]-9-hydroxy-4,8-dimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-10,2'-oxirane]-3-one
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C1OC2CC3(OC3)C(O)(CCC4=COC=C4)C5(C)CCCC1(C)C25
0 references
isomeric SMILES
C[C@]12CCC[C@]3([C@H]1[C@@H](C[C@]4([C@@]3(CCC5=COC=C5)O)CO4)OC2=O)C
0 references
found in taxon
Leonotis nepetaefolia
1 reference
stated in
Nepetaefolinol and two related diterpenoids from Leonotis nepetaefolia
Leonotis nepetifolia
1 reference
stated in
Nepetaefolinol and two related diterpenoids from Leonotis nepetaefolia
Leonurus sibiricus
2 references
stated in
Studies on the constituents of Leonurus sibiricus L
stated in
Studies on the Constituents of Leonurus sibiricus L.
Leonurus
1 reference
stated in
Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds
Leonotis ocymifolia
1 reference
stated in
Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds
Identifiers
InChI
InChI=1S/C20H26O5/c1-17-6-3-7-18(2)15(17)14(25-16(17)21)10-19(12-24-19)20(18,22)8-4-13-5-9-23-11-13/h5,9,11,14-15,22H,3-4,6-8,10,12H2,1-2H3/t14-,15+,17+,18+,19-,20+/m1/s1
0 references
InChIKey
TYPXWADRUZBXSO-FHZWTMRJSA-N
0 references
CAS Registry Number
55784-80-0
0 references
PubChem CID
636934
1 reference
matched by identifier from
InChIKey
InChIKey
TYPXWADRUZBXSO-FHZWTMRJSA-N
UniChem compound ID
27297889
1 reference
stated in
UniChem
NMRShiftDB structure ID
4331
1 reference
matched by identifier from
InChIKey
InChIKey
TYPXWADRUZBXSO-FHZWTMRJSA-N
DSSTox substance ID
DTXSID80348396
1 reference
matched by identifier from
InChIKey
InChIKey
TYPXWADRUZBXSO-FHZWTMRJSA-N
DSSTOX compound identifier
DTXCID10299468
0 references
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