Lucidenic Acid P

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Properties Simple | Detailed

Formula C25H22O8
IUPAC Name 2,8-diethynyl-10-hydroperoxy-1-methyl-3,5,7,9-tetramethylene-4a,11a-dihydrobenzo[9]annulene-4,6,11-trione; molecular oxygen; prop-1-yn-1-ol
Molecular Mass 450.437 g·mol−1
Heat of Formation -1645.1 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 628.55 Å 3
Surface Area 459.38 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3s,5r,7s,10s,12s,13r,14r,17r)-12-acetoxy-3,7-dihydroxy-11,15-diketo-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
  • (4r)-4-[(3s,5r,7s,10s,12s,13r,14r,17r)-12-acetoxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(3s,5r,7s,10s,12s,13r,14r,17r)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKey QPEKELRREXLZJP-WGULIUFBSA-N
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