(3β,24R)-24-Hydroperoxydammar-25-Ene-3,20-Diol

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Formula C30H52O4
IUPAC Name (3s,5r,8r,9r,10r,13r,14r,17s)-17-[(1s,4r)-4-hydroperoxy-1-hydroxy-1,5-dimethyl-hex-5-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 476.731 g·mol−1
Heat of Formation -805.6 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 630.03 Å 3
Surface Area 474.86 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9r,10r,13r,14r,17s)-17-[(1s,4r)-4-hydroperoxy-1-hydroxy-1,5-dimethyl-hex-5-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5r,8r,9r,10r,13r,14r,17s)-17-[(1s,4r)-4-hydroperoxy-1-hydroxy-1,5-dimethylhex-5-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5r,8r,9r,10r,13r,14r,17s)-17-[(2s,5r)-5-hydroperoxy-2-hydroxy-6-methyl-hept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cereotagaloperoxide
InChIKey DSOJBUJYPBMGGO-HCOAJINSSA-N
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