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(Q82904120)
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English
5'-(Furan-3-yl)-7-methyl-2-oxo-2,3,4,5,5a,7-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolan]-2'-yl acetate
group of stereoisomers with the chemical formula C₂₁H₂₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
370.14163842399995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1OC(c2ccoc2)CC12C(C)C=C1OC(=O)C3=C1C2CCC3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@@H]1O[C@H](c2ccoc2)CC12C1CCCC3=C1C(=C[C@H]2C)OC3=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H22O6/c1-11-8-16-18-14(19(23)26-16)4-3-5-15(18)21(11)9-17(13-6-7-24-10-13)27-20(21)25-12(2)22/h6-8,10-11,15,17,20H,3-5,9H2,1-2H3/t11-,15?,17+,20-,21?/m1/s1
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InChIKey
SYHVYEXYVVXNPC-FPSHUNOHSA-N
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CAS Registry Number
136176-64-2
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PubChem CID
178300
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60361098
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60929283
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DSSTOX compound identifier
DTXCID601358032
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