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English
Teugnaphalodin
group of stereoisomers with the chemical formula C₂₀H₂₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
378.167853172
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₇
0 references
canonical SMILES
O=C1OCC23C4CCCC3(O)COC2(O)CC(C)C14CC(O)C5=COC=C5
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isomeric SMILES
C[C@@H]1C[C@]2(O)OC[C@@]3(O)CCC[C@@H]4[C@@]1(CC(O)c1ccoc1)C(=O)OC[C@]423
0 references
found in taxon
Teucrium gnaphalodes
1 reference
stated in
Teugnaphalodin, a neo-clerodane diterpenoid from Teucrium gnaphalodes
Identifiers
InChI
InChI=1S/C20H26O7/c1-12-7-20(24)19-11-26-16(22)18(12,8-14(21)13-4-6-25-9-13)15(19)3-2-5-17(19,23)10-27-20/h4,6,9,12,14-15,21,23-24H,2-3,5,7-8,10-11H2,1H3/t12-,14?,15-,17+,18+,19-,20+/m1/s1
0 references
InChIKey
BYJFRSRTXUTOBQ-MBLCBTCMSA-N
0 references
PubChem CID
101601177
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BYJFRSRTXUTOBQ-MBLCBTCMSA-N
UniChem compound ID
96689088
1 reference
stated in
UniChem
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