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3-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN
FEATURES
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NAMES
  • 3-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN
SMILES
CC(=O)O[C@H]1CC[C@]2(C)C(C[C@@H](OC(C)=O)[C@]3(C)C4=CC(=O)O[C@H](c5ccoc5)[C@@]4(C)CCC32)C1(C)C
InChI
InChI=1S/C30H40O7/c1-17(31)35-23-9-12-28(5)20-8-11-29(6)22(15-25(33)37-26(29)19-10-13-34-16-19)30(20,7)24(36-18(2)32)14-21(28)27(23,3)4/h10,13,15-16,20-21,23-24,26H,8-9,11-12,14H2,1-7H3/t20?,21?,23-,24+,26+,28-,29-,30-/m0/s1
MOLECULAR FORMULA
C30H40O7
CROSS REFERENCES
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3-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 512.28
AlogP 5.94
HBond donors 0
HBond acceptors 7
Atoms 77
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-DEOXO-3beta-ACETOXYDEOXYDIHYDROGEDUNIN.