Denticulatin B

(E,2S,4R)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one

Also Known As: Denticulatin A|DENTICULATIN B|(2S)-Tetrahydro-3beta,5beta-dimethyl-2alpha-[(1S,3R,5E)-1,3,5-trimethyl-2-oxo-5-octenyl]-6-[(1S)-1-methyl-2-oxobutyl]-2H-pyran-2beta,4beta-diol|(2S,4R,6E)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one|(E,2S,4R)-2-[(2S,3S,4S,5R)-2,4-dihydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]-4,6-dimethylnon-6-en-3-one

Molecular Formula	C23H40O5
Molecular Weight	396.28757 g/mol
LogP	3.9098
Topological Polar Surface Area	83.83 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	396.28757
Monoisotopic Mass	396.28757
Heavy Atoms	28
Complexity	583.54175

Chemical Identifiers

CAS Number	87758-52-9
SMILES	CC/C=C(\C)/C[C@@H](C)C(=O)[C@H](C)[C@@]1([C@H]([C@H]([C@H](C(O1)[C@H](C)C(=O)CC)C)O)C)O