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(Q82874273)
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English
Colladonin
group of stereoisomers with the chemical formula C₂₄H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
drimane sesquiterpenoid
1 reference
inferred from
drimane sesquiterpenoid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
382.21440943999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₄H₃₀O₄
0 references
canonical SMILES
O=C1OC=2C=C(OCC3C(=C)CCC4C(C)(C)C(O)CCC34C)C=CC2C=C1
0 references
isomeric SMILES
C=C1CC[C@@H]2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
0 references
Identifiers
InChI
InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18?,20-,21?,24?/m1/s1
0 references
InChIKey
FCWYNTDTQPCVPG-SMVUYSJCSA-N
0 references
CAS Registry Number
100785-98-6
0 references
PubChem CID
375430
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27259804
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50905738
0 references
DSSTOX compound identifier
DTXCID301334839
0 references
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