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(Q81983341)
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English
3-[(2R,3R)-5-Hydroxy-7-methoxy-2,3-dimethyl-8-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]hexanoic acid
group of stereoisomers with the chemical formula C₂₃H₃₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
404.21988874399995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)OC(C)C(C)C2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC(CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](C)[C@@H](C)C2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H32O6/c1-7-8-15(11-17(24)25)18-21(27)19-20(26)13(4)14(5)29-23(19)16(22(18)28-6)10-9-12(2)3/h9,13-15,27H,7-8,10-11H2,1-6H3,(H,24,25)/t13-,14-,15?/m1/s1
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InChIKey
IGEOTNLFIQJPLF-GRKKQISMSA-N
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CAS Registry Number
40737-92-6
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PubChem CID
138394736
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
169813451
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30904901
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DSSTOX compound identifier
DTXCID801334010
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