(1S,3R,6S,8S)-1,6,9-Trihydroxy-3-(2-Hydroxy-2-Propanyl)-10-Isobutyryl-5,5-Dimethyl-8-(3-Methyl-2-Buten-1-Yl)-4-Oxabicyclo[6.3.1]Dodec-9-Ene-11,12-Dione

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Properties Simple | Detailed

Formula C25H38O8
IUPAC Name (1s,3s,6r,8s)-3,8,11-trihydroxy-6-(2-hydroxypropan-2-yl)-4,4-dimethyl-1-(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxabicyclo[6.3.1]dodec-10-ene-9,12-dione
Molecular Mass 466.564 g·mol−1
Heat of Formation -1529.2 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 566.5 Å 3
Surface Area 411.53 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s,6r,8s)-3,8,11-trihydroxy-6-(1-hydroxy-1-methyl-ethyl)-10-isobutyryl-4,4-dimethyl-1-(3-methylbut-2-enyl)-5-oxabicyclo[6.3.1]dodec-10-ene-9,12-quinone
  • (1s,3s,6r,8s)-3,8,11-trihydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,4-dimethyl-1-(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxabicyclo[6.3.1]dodec-10-ene-9,12-dione
  • (1s,3s,6r,8s)-3,8,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-4,4-dimethyl-1-(3-methylbut-2-enyl)-10-(2-methyl-1-oxopropyl)-5-oxabicyclo[6.3.1]dodec-10-ene-9,12-dione
InChIKey GJAHRUVUNWAUBO-QDRGSXSYSA-N
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