7-Desacetoxy-6,7-dehydrogedunin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 52897276
Molecular Formula

C26H30O5

SMILES

C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C=C[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C

InChI

InChI=1S/C26H30O5/c1-22(2)16-6-11-24(4)17(23(16,3)10-8-18(22)27)7-12-25(5)19(15-9-13-29-14-15)30-21(28)20-26(24,25)31-20/h6,8-11,13-14,16-17,19-20H,7,12H2,1-5H3/t16-,17+,19-,20+,23-,24+,25-,26-/m0/s1

synonyms
  • 26927-01-5
  • 7DG
  • CHEMBL3138690
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Properties
Property Value
MW 422.5 g/mol
HBD 0
HBA 5
Rotatable Bond Count 1
Exact Mass 422.20932405 g/mol
Monoisotopic Mass 422.20932405 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 934
xlogp 4.5
Topological Polar Surface Area 69