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English
Deacyljanerin
group of stereoisomers with the chemical formula C₁₅H₁₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
278.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₅
0 references
canonical SMILES
O=C1OC2C(C1=C)C(O)CC(=C)C3CC(O)C4(OC4)C23
0 references
isomeric SMILES
C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)C21CO1
0 references
found in taxon
Saussurea salicifolia
1 reference
stated in
Further guaianolides from Hymenopappus species
Identifiers
InChI
InChI=1S/C15H18O5/c1-6-3-9(16)11-7(2)14(18)20-13(11)12-8(6)4-10(17)15(12)5-19-15/h8-13,16-17H,1-5H2/t8-,9-,10-,11+,12-,13-,15?/m0/s1
0 references
InChIKey
PJBBLXOPECXDHO-ZYUIHESFSA-N
0 references
CAS Registry Number
96895-33-9
0 references
PubChem CID
176588
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42726388
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00914259
0 references
DSSTOX compound identifier
DTXCID901343254
0 references
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