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(Q82891669)
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English
7-Oxo-12,13-epoxytrichothec-8-ene-3,8,15-triyl triacetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
422.15768241199993
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OCC12C(=O)C(OC(C)=O)=C(C)CC1OC1C(OC(C)=O)CC2(C)C12CO2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OC[C@]12C(=O)C(OC(C)=O)=C(C)C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)C12CO2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26O9/c1-10-6-15-20(8-26-11(2)22,17(25)16(10)29-13(4)24)19(5)7-14(28-12(3)23)18(30-15)21(19)9-27-21/h14-15,18H,6-9H2,1-5H3/t14-,15-,18-,19-,20-,21?/m1/s1
0 references
InChIKey
SPPYZUFYUICUCL-FSWPFWDFSA-N
0 references
CAS Registry Number
92397-71-2
0 references
PubChem CID
185164
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45166303
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10919199
0 references
DSSTOX compound identifier
DTXCID201348134
0 references
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