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

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Formula C26H42O3
IUPAC Name (2r,4r,4ar,6s,8as)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
Molecular Mass 402.610 g·mol−1
Heat of Formation -834.7 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 547.67 Å 3
Surface Area 408.17 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r,4ar,6s,8as)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
  • (2r,4r,4ar,6s,8as)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-methylol-decalin-2-ol
  • (2r,4r,4ar,6s,8as)-4-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-6-(hydroxymethyl)-2-decalinol
  • (2r,4r,4ar,6s,8as)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
InChIKey ZAELPWSCABXXAB-NWXGMGMZSA-N
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