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(Q72487496)
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Limonol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
472.2097179839999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₂O₈
0 references
canonical SMILES
CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)OC2CC(=O)OCC23C1CC(O)C1(C)C3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC312
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H32O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-17,19-20,27H,5,7,9-10,12H2,1-4H3/t14?,15?,16?,17?,19-,20?,23-,24?,25?,26?/m0/s1
0 references
InChIKey
ZFIURKZEANVFML-GJXGUZPUSA-N
0 references
CAS Registry Number
989-61-7
0 references
PubChem CID
3083667
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32029861
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00912997
0 references
DSSTOX compound identifier
DTXCID301342010
0 references
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