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(Q82003859)
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Corotoxigenin
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
388.2249741239999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₃₂O₅
0 references
canonical SMILES
O=CC12CCC(O)CC2CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O
0 references
isomeric SMILES
C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
0 references
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/h10,13,15-19,25,27H,2-9,11-12H2,1H3/t15-,16-,17+,18?,19?,21+,22+,23-/m0/s1
0 references
InChIKey
JNTNUSUPTSNMNJ-FORWYNSGSA-N
0 references
CAS Registry Number
49810-25-5
0 references
PubChem CID
10095
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68556451
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20274504
0 references
DSSTOX compound identifier
DTXCID60225979
0 references
NSC number
31270
0 references
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