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English
SCHEMBL5925225
group of stereoisomers with the chemical formula C₂₄H₃₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
384.23005950399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc2c(c1)C(=O)CC1C2CCC2(C)C(OC3CCCCO3)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC3CCCCO3)CC[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H32O4/c1-24-11-10-17-16-7-6-15(26-2)13-19(16)21(25)14-18(17)20(24)8-9-22(24)28-23-5-3-4-12-27-23/h6-7,13,17-18,20,22-23H,3-5,8-12,14H2,1-2H3/t17-,18-,20+,22+,23?,24+/m1/s1
0 references
InChIKey
XTZUNKVZLDGOEJ-ZTLVKAOKSA-N
0 references
CAS Registry Number
174497-42-8
0 references
PubChem CID
11101056
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23328695
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60455234
0 references
DSSTOX compound identifier
DTXCID50406053
0 references
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