steviol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 22
PubChem 452967
Molecular Formula

C20H30O3

SMILES

C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O

InChI

InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1

synonyms
  • Steviol
  • 471-80-7
  • Hydroxydehydrostevic acid
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Properties
Property Value
MW 318.4 g/mol
HBD 2
HBA 3
Rotatable Bond Count 1
Exact Mass 318.21949481 g/mol
Monoisotopic Mass 318.21949481 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 583
xlogp 3.8
Topological Polar Surface Area 57.5