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3,8-Diacetylfalconerine
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NAMES
  • 3,8-Diacetylfalconerine
SMILES
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@@H]2[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1
InChI
InChI=1S/C38H53NO12/c1-10-39-17-36(18-43-4)27(49-19(2)40)15-28(47-8)38-23-14-22-26(46-7)16-37(51-20(3)41,30(34(38)39)32(48-9)33(36)38)29(23)31(22)50-35(42)21-11-12-24(44-5)25(13-21)45-6/h11-13,22-23,26-34H,10,14-18H2,1-9H3/t22-,23-,26+,27-,28+,29-,30+,31+,32+,33-,34?,36+,37-,38+/m1/s1
MOLECULAR FORMULA
C38H53NO12
CROSS REFERENCES
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3,8-Diacetylfalconerine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 715.36
AlogP 3.15
HBond donors 0
HBond acceptors 13
Atoms 104
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3,8-Diacetylfalconerine.