6-deoxyerythronolide B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 121904
Molecular Formula

C21H38O6

SMILES

CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C

InChI

InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1

synonyms
  • 6-deoxyerythronolide B
  • 15797-36-1
  • 3,5,11-Trihydroxyerythranolid-9-one
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Properties
Property Value
MW 386.5 g/mol
HBD 3
HBA 6
Rotatable Bond Count 1
Exact Mass 386.26683893 g/mol
Monoisotopic Mass 386.26683893 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 507
xlogp 3.1
Topological Polar Surface Area 104