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(Q82952913)
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English
3,14,19-Trihydroxycarda-5,20(22)-dienolide
group of stereoisomers with the chemical formula C₂₃H₃₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
388.2249741239999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3C(CC=C4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43CO)[C@@]1(O)CCC2C1=CC(=O)OC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h2,10,16-19,24-25,27H,3-9,11-13H2,1H3/t16-,17?,18?,19?,21+,22+,23-/m0/s1
0 references
InChIKey
DUSRIIPEQBGMHU-KQYWMCCWSA-N
0 references
CAS Registry Number
546-03-2
0 references
PubChem CID
11021
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56047189
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70969852
0 references
DSSTOX compound identifier
DTXCID201397400
0 references
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