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

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Properties Simple | Detailed

Formula C19H30O5
IUPAC Name (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 338.439 g·mol−1
Heat of Formation -1050.1 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 429.15 Å 3
Surface Area 366.37 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 3.28 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
  • (3r,5r)-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
InChIKey FJQFRDAWQRBFCG-IRUSZSJRSA-N
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