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19-Acetylgnaphalin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 5138525
1 reference
based on heuristic
inferred from SMILES
Gnaphalin, 19-acetyl
1 reference
based on heuristic
inferred from SMILES
mass
402.167853172
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 162883510
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₆O₇
0 references
canonical SMILES
O=C(OCC12C(=O)CC(C)C3(C(=O)OC(C4=COC=C4)C3)C2CCCC51OC5)C
0 references
isomeric SMILES
C[C@@H]1CC(=O)[C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)COC(=O)C
0 references
found in taxon
Teucrium asiaticum
1 reference
stated in
Clerodane diterpenoids from Teucrium and Ajuga plants
Teucrium betonicum
1 reference
stated in
A rearranged homo-neo-clerodane diterpenoid from Teucrium betonicum
Teucrium buxifolium
1 reference
stated in
Neo-clerodane diterpenoids from teucrium lepicephalum and teucrium buxifolium
Teucrium creticum
1 reference
stated in
Teucretol, a neo-clerodane diterpenoid from Teucrium creticum
Teucrium lamiifolium
1 reference
stated in
12-Epiteupolin II, a neo-clerodane diterpenoid from Teucrium lamiifolium
Teucrium polium
3 references
stated in
Clerodane diterpenoids from Teucrium and Ajuga plants
stated in
2β-hydroxyteucvidin from teucrium webbianum
stated in
A new clerodane diterpene from Teucrium polium L.
Teucrium capitatum
2 references
stated in
Clerodane diterpenoids from Teucrium and Ajuga plants
stated in
2β-hydroxyteucvidin from teucrium webbianum
Teucrium rivas-martinezii
1 reference
stated in
Neo-clerodane diterpenoids from three species of Teucrium
Teucrium spinosum
1 reference
stated in
New Clerodane Diterpenoids from Teucrium spinosum L.
Identifiers
InChI
InChI=1S/C22H26O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-17H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,20+,21-,22+/m1/s1
0 references
InChIKey
IWEPQKLANYKTAS-UKLMFHPYSA-N
0 references
CAS Registry Number
64756-04-3
0 references
PubChem CID
182444
1 reference
matched by identifier from
InChIKey
InChIKey
IWEPQKLANYKTAS-UKLMFHPYSA-N
UniChem compound ID
64236790
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50983379
1 reference
matched by identifier from
InChIKey
InChIKey
IWEPQKLANYKTAS-UKLMFHPYSA-N
DSSTOX compound identifier
DTXCID101410619
0 references
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