(3β,5Alpha)-3,17-Dihydroxy-4,4,8,10,14-Pentamethylgona-11,13(17)-Diene-15,16-Dione

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Formula C22H30O4
IUPAC Name (3s,5r,8r,9r,10s,14s)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1h-cyclopenta[a]phenanthrene-15,16-dione
Molecular Mass 358.471 g·mol−1
Heat of Formation -652.5 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 436.57 Å 3
Surface Area 332.32 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9r,10s,14s)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1h-cyclopenta[a]phenanthrene-15,16-dione
  • (3s,5r,8r,9r,10s,14s)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1h-cyclopenta[a]phenanthrene-15,16-quinone
InChIKey KIAKLFLISZCITK-PPAUHQMUSA-N
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