(1S,4As,6R,8Ar)-6-Hydroxy-1-[(3R)-5-Hydroxy-3-Methylpentyl]-5,5,8A-Trimethyl-1,4,4A,5,6,7,8,8A-Octahydro-2-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C20H34O4
IUPAC Name (1s,4as,6r,8ar)-6-hydroxy-1-[(3r)-5-hydroxy-3-methyl-pentyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
Molecular Mass 338.482 g·mol−1
Heat of Formation -957.3 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 447.63 Å 3
Surface Area 347.08 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,6r,8ar)-6-hydroxy-1-[(3r)-5-hydroxy-3-methyl-pentyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
  • (1s,4as,6r,8ar)-6-hydroxy-1-[(3r)-5-hydroxy-3-methylpentyl]-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
  • 3,15-dihydroxy-ent-labd-7-en-17-oic acid
  • 5,10-cycloretinol, 5,6,7,10,11,12,13,14-octahydro-2,19-dihydroxy-19-oxo-, (2r,5r,10s)-
  • 6-hydroxy-1-(5-hydroxy-3-methyl-pentyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-2-carboxylic acid
  • rel-(2r,5r,10s)-2,19-dihydroxy-19-oxo-5,6,7,10,11,12,13,14-octahydro-5,10-cycloretinol
InChIKey XEDCLIOKVSOTJJ-RZRATATOSA-N
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