ratjadone c

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 139586567
Molecular Formula

C28H40O5

SMILES

CC[C@H](C/C=C/C=C/[C@H]([C@@H]1C[C@H]([C@@H]([C@@H](O1)/C=C/C)C)O)O)/C=C(/C)\C=C\[C@H]2CC=CC(=O)O2

InChI

InChI=1S/C28H40O5/c1-5-11-26-21(4)25(30)19-27(33-26)24(29)14-9-7-8-12-22(6-2)18-20(3)16-17-23-13-10-15-28(31)32-23/h5,7-11,14-18,21-27,29-30H,6,12-13,19H2,1-4H3/b8-7+,11-5+,14-9+,17-16+,20-18-/t21-,22+,23+,24+,25+,26-,27-/m0/s1

synonyms
  • Ratjadone C
  • CHEBI:224511
  • (2R)-2-[(1E,3Z,5R,7E,9E,11R)-5-ethyl-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
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Properties
Property Value
MW 456.6 g/mol
HBD 2
HBA 5
Rotatable Bond Count 10
Exact Mass 456.28757437 g/mol
Monoisotopic Mass 456.28757437 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 788
xlogp 5.5
Topological Polar Surface Area 76