(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,3S,6R,8Ar)-3-Hydroxy-2,6-Dimethyl-1,2,3,5,6,7,8,8A-Octahydro-1-Naphthalenyl]Heptanoic Acid

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Properties Simple | Detailed

Formula C19H32O5
IUPAC Name (3r,5r)-7-[(1r,2r,3s,6r,8ar)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 340.454 g·mol−1
Heat of Formation -1169.3 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 437.65 Å 3
Surface Area 369.5 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[(1r,2r,3s,6r,8ar)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[(1r,2r,3s,6r,8ar)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[(1r,2r,3s,6r,8ar)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
  • 3-adml
  • 3-hydroxy-3,5-dihydromonacolin l
  • 3alpha-hydroxy-3,5-dihydromonacolin l
CAS Number(s)
  • 113855-37-1
InChIKey MRKCPMGQBNMKTA-GBRHIFDWSA-N
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