Hirsutenol A

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3r,3as,4r,7as)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1h-cyclopenta[a]pentalene-2,6-dione
Molecular Mass 248.317 g·mol−1
Heat of Formation -532.1 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 311.39 Å 3
Surface Area 261.14 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3bs,4r,6as)-3-hydroxy-2,2,3b,4-tetramethyl-4,6,6a,7-tetrahydro-3h-cyclopenta[e]pentalene-1,5-dione
  • (3r,3bs,4r,6as)-3-hydroxy-2,2,3b,4-tetramethyl-4,6,6a,7-tetrahydro-3h-cyclopenta[e]pentalene-1,5-quinone
  • 1h-cyclopenta[a]pentalene-1,5(2h)-dione, 3,3b,4,6,6a,7-hexahydro-3-hydroxy-2,2,3b,4-tetramethyl-, (3r,3bs,4r)-
  • 3-hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-2h-cyclopenta[a]pentalene-1,5-dione
  • rel-(3r,3bs,4r)-3-hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1h-cyclopenta[a]pentalene-1,5(2h)-dione
InChIKey JDNHHSVZZOCUOM-WCBQKTFOSA-N
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