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(Q82893261)
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English
2-Methyl-2-[(11a-methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydrophenanthro[2,1-b]furan-7-yl)oxy]propanoic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
344.19875937599994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)(Oc1ccc2c(c1)CCC1C2CCC2(C)OCCC12)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(Oc1ccc2c(c1)CCC1C2CC[C@]2(C)OCCC12)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H28O4/c1-20(2,19(22)23)25-14-5-7-15-13(12-14)4-6-17-16(15)8-10-21(3)18(17)9-11-24-21/h5,7,12,16-18H,4,6,8-11H2,1-3H3,(H,22,23)/t16?,17?,18?,21-/m0/s1
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InChIKey
OSSPFHPOWGXPTG-XPGIBRRYSA-N
0 references
CAS Registry Number
111825-43-5
0 references
PubChem CID
3086732
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43764428
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60920578
0 references
DSSTOX compound identifier
DTXCID101349484
0 references
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