(3β,6Alpha,12β,14β)-Dammar-24-Ene-3,6,12,20-Tetrol

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Formula C28H18O4
IUPAC Name (3s,5r,6s,8r,9r,10r,12r,13r,14s,17s)-17-[(2s)-2-hydroxy-6-methylhept-5-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]phenanthrene-3,6,12-triol
Molecular Mass 418.440 g·mol−1
Heat of Formation -1083.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 622.91 Å 3
Surface Area 469.09 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,6s,8r,9r,10r,12r,13r,14s,17s)-17-[(1s)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
  • (3s,5r,6s,8r,9r,10r,12r,13r,14s,17s)-17-[(1s)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
  • (3s,5r,6s,8r,9r,10r,12r,13r,14s,17s)-17-[(2s)-2-hydroxy-6-methyl-hept-5-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]phenanthrene-3,6,12-triol
  • dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta)-
CAS Number(s)
  • 32773-56-1
  • 34080-08-5
InChIKey SHCBCKBYTHZQGZ-PHFGEWBZSA-N
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