butyrolactone I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 21
Total Number of Articles : 20
PubChem 51340302
Molecular Formula

C24H24O7

SMILES

CC(=CCC1=C(C=CC(=C1)C[C@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C(=O)OC)O)C

InChI

InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m0/s1

synonyms
  • butyrolactone i
  • BUTYROLACTONEI
  • SCHEMBL13050471
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Properties
Property Value
MW 424.4 g/mol
HBD 3
HBA 7
Rotatable Bond Count 7
Exact Mass 424.15220310 g/mol
Monoisotopic Mass 424.15220310 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 743
xlogp 4.4
Topological Polar Surface Area 113