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

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Formula C28H20O4
IUPAC Name (3s,5r,6s,8r,9r,10r,12r,13r,14r,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 420.456 g·mol−1
Heat of Formation -1103.0 ± 16.7 kJ·mol−1
Dipole Moment 0.49 ± 1.08 D
Volume 623.5 Å 3
Surface Area 463.15 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,6s,8r,9r,10r,12r,13r,14r,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,14r,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,14r,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
InChIKey SHCBCKBYTHZQGZ-CJPZEJHVSA-N
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