3,4-Dihydroxy-9,10-Secoandrosta-1,3,5(10)-Triene-9,17-Dione

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Formula C19H24O4
IUPAC Name (3as,4s,7as)-4-[2-(2,3-dihydroxy-6-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Molecular Mass 316.391 g·mol−1
Heat of Formation -743.5 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 389.69 Å 3
Surface Area 327.7 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 3.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,4s,7as)-4-[2-(2,3-dihydroxy-6-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
  • (3as,4s,7as)-4-[2-(2,3-dihydroxy-6-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-quinone
  • (3as,4s,7as)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
  • 3,4-dhsa
  • 4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methylhexahydro-1h-indene-1,5(4h)-dione
  • lmst02020062
InChIKey YUHVBHDSVLKFNI-NJSLBKSFSA-N
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