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(Q82882949)
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English
7-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
group of stereoisomers with the chemical formula C₁₇H₂₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
308.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CC2(C)C3(CO3)C1OC1C=C(C)CC(O)C12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@@H]1C[C@@]2(C)C3(CO3)[C@@H]1O[C@@H]1C=C(C)C[C@@H](O)[C@@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H24O5/c1-9-5-12(19)16(4)13(6-9)22-14-11(21-10(2)18)7-15(16,3)17(14)8-20-17/h6,11-14,19H,5,7-8H2,1-4H3/t11-,12-,13-,14-,15-,16+,17?/m1/s1
0 references
InChIKey
DXJVHMPBOIJQMO-YXLAKCTBSA-N
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CAS Registry Number
99571-97-8
0 references
PubChem CID
188604
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68644204
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50912624
0 references
DSSTOX compound identifier
DTXCID401341641
0 references
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