AA 57

(1S,4aR,6aR,7R)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

Also Known As: AA 57|AA-57|(1S,4aR,6aR,7R)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid|Pentaleno(1,3a-c)pyran-5-carboxylic acid, 1,2,4,4a,6a,7-hexadyro-1-(chloromethyl)-7,8-dimethyl-1-hydroxy-2-oxo-|Pentaleno(1,6a-c)pyran-5-carboxylic acid, 1-(chloromethyl)-1,2,4,4a,6a,7-hexahydro-1-hydroxy-7,8-dimethyl-2-oxo-, (1S-(1alpha,4aalpha,6abeta,7alpha,9aR*))-|(4S,7R,7aR,9aR)-4-(Chloromethyl)-4-hydroxy-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid|4-(Chloromethyl)-4-hydroxy-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno(1,6a-c)pyran-9-carboxylic acid|4-(Chloromethyl)-4-hydroxy-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid

Molecular Formula	C15H17ClO5
Molecular Weight	312.07645 g/mol
LogP	0.9
Topological Polar Surface Area	83.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	312.07645
Monoisotopic Mass	312.07645
Heavy Atoms	21
Complexity	595.0

Chemical Identifiers

CAS Number	68026-87-9
SMILES	C[C@@H]1[C@H]2C=C([C@H]3C2(C=C1C)[C@](C(=O)OC3)(CCl)O)C(=O)O
InChIKey	JIBVJJZCSYJNBC-MERSJFMSSA-N