Bruceanol H
FEATURES
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NAMES
  • Bruceanol H
SMILES
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24
InChI
InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1
MOLECULAR FORMULA
C28H38O11
CROSS REFERENCES
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Bruceanol H
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight550.24
AlogP0.32
HBond donors3
HBond acceptors11
Atoms77
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Bruceanol H.