rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-nitrilocard-20(22)-enolide

Chemical Structure Depiction of
rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-nitrilocard-20(22)-enolide
Available: 11 mg
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mg
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Compound characteristics

Compound ID: 0449-0076
Compound Name: rel-(10xi,13xi,14xi,17xi)-3,5,14-trihydroxy-19-nitrilocard-20(22)-enolide
Molecular Weight: 401.5
Molecular Formula: C23 H31 N O5
Smiles: [H][C@@]12CCC3(C)C(CCC3([C@]2([H])CCC2(CC(CCC12C#N)O)O)O)C1COC(C=1)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 1.199
logD: 1.199
logSw: -3.1751
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 3
Polar surface area: 85.324
InChI Key: BAOMKOXOVLCSLQ-XPRCOTIISA-N
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