(+)-Myrrhanol A

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Properties Simple | Detailed

Formula C30H52O3
IUPAC Name (2s,4as,5r,6r,8ar)-5-[(3e,7e,11e)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-decalin-2,6-diol
Molecular Mass 460.732 g·mol−1
Heat of Formation -833.8 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 644.06 Å 3
Surface Area 523.81 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4ar,6s,8as)-1-[(3e,7e,11e)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalene-2,6-diol
  • (1r,2r,4ar,6s,8as)-1-[(3e,7e,11e)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1h-naphthalene-2,6-diol
  • (2s,4as,5r,6r,8ar)-5-[(3e,7e,11e)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-decalin-2,6-diol
  • (2s,4as,5r,6r,8ar)-5-[(3e,7e,11e)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4a,6-tetramethyldecalin-2,6-diol
InChIKey KKOJENOIJUTRDK-RDIXPVEOSA-N
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