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(Q82940385)
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English
Grayanotoxane-3,5,6,14,16-pentol
group of stereoisomers with the chemical formula C₂₀H₃₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
354.24062418799997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1C2CCC3C(O)C2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1[C@@H]2CCC3[C@H](O)C2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H34O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h10-16,21-25H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+,18-,19?,20+/m1/s1
0 references
InChIKey
IGKWESNBSFVVHE-VYIUWCHKSA-N
0 references
CAS Registry Number
38776-77-1
0 references
PubChem CID
217391
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48067295
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80959582
0 references
DSSTOX compound identifier
DTXCID101387456
0 references
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