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(Q104394268)
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English
Gnaphalin, 19-acetyl
group of stereoisomers with the chemical formula C₂₂H₂₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
402.1678531719999
dalton
1 reference
based on heuristic
inferred from SMILES
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
CC(=O)OCC12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1
0 references
found in taxon
Teucrium oxylepis
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium oxylepis subsp. Marianum
Teucrium montanum
1 reference
stated in
Neo-clerodane diterpenoids from teucrium montanum
Teucrium massiliense
1 reference
stated in
Neo-clerodane diterpenes from Teucrium species
Teucrium corymbosum
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium corymbosum
Teucrium carolipaui
1 reference
stated in
A valencane sesquiterpenoid from Teucrium carolipaui
Teucrium carthaginense
1 reference
stated in
Ent-clerodane diterpenoids from six further species of Teucrium
Teucrium gnaphalodes
1 reference
stated in
Teugnaphalodin, a neo-clerodane diterpenoid from Teucrium gnaphalodes
Teucrium
1 reference
stated in
Neo-clerodane diterpenoids from three species of Teucrium
Teucrium polium
3 references
stated in
A chlorine-containing and two 17β-neo-clerodane diterpenoids from Teucrium polium subsp. Vincentinum
stated in
Neo-clerodane diterpenoids from Teucrium polium subsp. capitatum
stated in
Furanoid Diterpenes in the Bitter Fraction of Teucrium polium 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-SOXFRIESSA-N
0 references
PubChem CID
330709
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42486537
1 reference
stated in
UniChem
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