walsuronoid B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 16724460
Molecular Formula

C26H30O6

SMILES

C[C@]12C=CC(=O)C(C1=C(C(=O)[C@@]3([C@@H]2[C@H](CC4=C(C[C@H]([C@]43C)O)C5=COC=C5)O)C)O)(C)C

InChI

InChI=1S/C26H30O6/c1-23(2)17(28)6-8-24(3)20-16(27)11-15-14(13-7-9-32-12-13)10-18(29)25(15,4)26(20,5)22(31)19(30)21(23)24/h6-9,12,16,18,20,27,29-30H,10-11H2,1-5H3/t16-,18+,20+,24+,25-,26-/m0/s1

synonyms
  • Walsuronoid B
  • 942582-15-2
  • (8R,9R,10R,11S,14R,15R)-17-(furan-3-yl)-6,11,15-trihydroxy-4,4,8,10,14-pentamethyl-11,12,15,16-tetrahydro-9H-cyclopenta[a]phenanthrene-3,7-dione
Click to show/hide the synonyms
Properties
Property Value
MW 438.5 g/mol
HBD 3
HBA 6
Rotatable Bond Count 1
Exact Mass 438.20423867 g/mol
Monoisotopic Mass 438.20423867 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1020
xlogp 1.9
Topological Polar Surface Area 108