alisol B 23-acetate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 753
Total Number of Articles : 675
PubChem 14036811
Molecular Formula

C32H50O5

SMILES

C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O

InChI

InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1

synonyms
  • Alisol B 23-acetate
  • 23-acetylalisol B
  • 72Y3NE3ZV8
Click to show/hide the synonyms
Properties
Property Value
MW 514.7 g/mol
HBD 1
HBA 5
Rotatable Bond Count 6
Exact Mass 514.36582469 g/mol
Monoisotopic Mass 514.36582469 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1020
xlogp 5.4
Topological Polar Surface Area 76.1