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English
4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 4-hydroxy-3-methylbutanoate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
482.2151972879999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₄O₁₀
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OCC12CC(OC(=O)CC(C)CO)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)CO)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C12CO2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H34O10/c1-12(9-25)6-18(28)33-16-8-23(10-30-14(3)26)17(7-13(16)2)34-21-19(29)20(32-15(4)27)22(23,5)24(21)11-31-24/h7,12,16-17,19-21,25,29H,6,8-11H2,1-5H3/t12?,16-,17+,19+,20+,21+,22+,23+,24?/m0/s1
0 references
InChIKey
LAXBEQNJAHUVIT-XJIZHKRUSA-N
0 references
CAS Registry Number
112765-59-0
0 references
PubChem CID
196671
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45214633
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30920888
0 references
DSSTOX compound identifier
DTXCID401349790
0 references
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