nimbolide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 159
Total Number of Articles : 53
PubChem 86287562
Molecular Formula

C27H30O7

SMILES

CC1=C2[C@H](CC1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@H]6[C@H]4OC(=O)[C@@]6(C=CC5=O)C)C)CC(=O)OC)C

InChI

InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15?,16-,17+,21+,22-,23+,25+,26-,27+/m0/s1

synonyms
  • Nimbolide
  • NSC 309909
  • CCRIS 5723
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Properties
Property Value
MW 466.5 g/mol
HBD 0
HBA 7
Rotatable Bond Count 4
Exact Mass 466.19915329 g/mol
Monoisotopic Mass 466.19915329 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1040
xlogp 2.2
Topological Polar Surface Area 92