(3β,12β,20R)-Dammarane-3,12,20,25-Tetrol

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Properties Simple | Detailed

Formula C30H54O4
IUPAC Name 3-[(4z,13r)-6-cyclopropyl-12-ethynyl-4-(3-hydroxyprop-2-ynyl)-9,10-dimethylene-spiro[15-oxabicyclo[9.4.0]pentadeca-1(11),4-dien-2,7-diyne-13,3'-oxirane]-2'-yl]prop-1-yn-1-ol
Molecular Mass 478.747 g·mol−1
Heat of Formation -1210.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 629.73 Å 3
Surface Area 473.16 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
  • (3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(1r)-1,5-dihydroxy-1,5-dimethylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
  • (3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2r)-2,6-dihydroxy-6-methyl-heptan-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-3,12-diol
  • (3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2r)-2,6-dihydroxy-6-methylheptan-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-3,12-diol
  • dammarane-3,12,20,25-tetrol, (3beta,12beta,20r)-
CAS Number(s)
  • 83349-37-5
InChIKey VKYVIIIEJKSVBR-XHJPDDKBSA-N
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