Borrelidin

trans-(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

Also Known As: Borrelidin|2-(7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl)cyclopentane-1-carboxylic acid|(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-Cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

Molecular Formula	C28H43NO6
Molecular Weight	489.30905 g/mol
LogP	4.64
Topological Polar Surface Area	127.85 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	489.30905
Heavy Atoms	35
Complexity	814.8

Chemical Identifiers

CAS Number	7184-60-3
SMILES	C[C@H]1C[C@H](C[C@@H]([C@H](C(=CC=CC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)C#N)O)C)C