Tingenin B

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Properties Simple | Detailed

Formula C28H36O4
IUPAC Name (6as,6bs,8ar,9s,11r,12as,14ar)-9-hydroxy-6a,6b,8a,11,14a-pentamethyl-4-methylene-7,8,9,11,12,12a,13,14-octahydropicene-2,3,10-trione
Molecular Mass 436.583 g·mol−1
Heat of Formation -672.3 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 529.65 Å 3
Surface Area 398.67 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,6bs,8ar,9s,11r,12as,14ar)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
  • (6as,6bs,8ar,9s,11r,12as,14ar)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-quinone
  • 22-hydroxytingenone
  • 24,25,26,30-tetranoroleana-1(10),3,5,7-tetraene-2,21-dione,3,22-dihydroxy-9,13-dimethyl-,(9.beta.,13.alpha.,14.beta,20.beta.,22.beta.)-
  • d:a-friedo-24,30-dinoroleana-1(10),3,5,7-tetraene-2,21-dione, 3,22-dihydroxy-, (20beta,22beta)-
CAS Number(s)
  • 50656-68-3
InChIKey QIRUFAFQGKOTKA-ZRWKYKNNSA-N
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