(2S,4S,4As,6R,8Ar)-6-(Hydroxymethyl)-4-[2-Hydroxy-4-(2-Methyl-2-Octanyl)Phenyl]Decahydro-2-Naphthalenol

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Properties Simple | Detailed

Formula C26H42O3
IUPAC Name (2s,4s,4as,6r,8ar)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
Molecular Mass 402.610 g·mol−1
Heat of Formation -829.7 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 555.37 Å 3
Surface Area 419.14 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,4as,6r,8ar)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
  • (2s,4s,4as,6r,8ar)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-methylol-decalin-2-ol
  • (2s,4s,4as,6r,8ar)-4-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-6-(hydroxymethyl)-2-decalinol
  • (2s,4s,4as,6r,8ar)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
  • 2-naphthalenemethanol, 8-(4-(1,1-dimethylheptyl)-2-hydroxyphenyl)decahydro-6-hydroxy-, (2alpha,4abeta,6alpha,8alpha,8aalpha)-(+-)-
  • cp 55,244
  • cp 55244
  • cp 97587
  • pdsp2_000244
CAS Number(s)
  • 79678-32-3
InChIKey ZAELPWSCABXXAB-QXASVXAKSA-N
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