2,3-Dihydrowithaferin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 15411208
Molecular Formula

C28H40O6

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)CC[C@@H]6O)C)O5)C)CO

InChI

InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

synonyms
  • Dihydrowithaferin A
  • 2,3-Dihydrowithaferin A
  • CHEBI:69124
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Properties
Property Value
MW 472.6 g/mol
HBD 2
HBA 6
Rotatable Bond Count 3
Exact Mass 472.28248899 g/mol
Monoisotopic Mass 472.28248899 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 957
xlogp 3.8
Topological Polar Surface Area 96.4