(3R,4S,4Ar,5R,8As)-3-Hydroxy-4-(2-Hydroxy-2-Propanyl)-4A,5-Dimethyloctahydro-1(2H)-Naphthalenone

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Properties Simple | Detailed

Formula C15H26O3
IUPAC Name (3r,4s,4ar,5r,8as)-3-hydroxy-4-(1-hydroxy-1-methyl-ethyl)-4a,5-dimethyl-decalin-1-one
Molecular Mass 254.365 g·mol−1
Heat of Formation -726.6 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 320.28 Å 3
Surface Area 255.28 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,4ar,5r,8as)-3-hydroxy-4-(1-hydroxy-1-methyl-ethyl)-4a,5-dimethyl-decalin-1-one
  • (3r,4s,4ar,5r,8as)-3-hydroxy-4-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-1-decalinone
  • (3r,4s,4ar,5r,8as)-3-hydroxy-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
  • 1(2h)-naphthalenone, octahydro-3-hydroxy-4-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (3r-(3alpha,4alpha,4abeta,5beta,8aalpha))-
  • dihydronardosinonediol
CAS Number(s)
  • 20489-12-7
InChIKey KBZZCZVNJIPDTQ-TUJOMHJISA-N
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