AC1L5RCM structure

AC1L5RCM

3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Also Known As: 3-[(3s,3as,5as,6r,9as,9bs)-3-hydroxy-3,3a,6-trimethyl-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoic acid|3-(3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octah|3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

CAS: 34804-73-4
Molecular Formula C19H30O4
Molecular Weight 322.21442 g/mol
LogP 2.4
Topological Polar Surface Area 74.6 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 322.21442
Monoisotopic Mass 322.21442
Heavy Atoms 23
Complexity 529.0

Chemical Identifiers

CAS Number 34804-73-4
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC(=O)[C@]3(C)CCC(=O)O
InChIKey UYMHYRPSWIDDSO-TULRTYAESA-N

Product Overview

AC1L5RCM (CAS 34804-73-4), with molecular formula C19H30O4 and molecular weight 322.21442 g/mol. IUPAC: 3-[(3S,3aS,5aS,6R,9aS,9bS)-3-hydroxy-3,3a,6-trimethyl-7-oxo-2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid.

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