(3β,6Alpha,12β,20E)-3,12-Dihydroxydammara-20(22),24-Dien-6-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C36H60O8
IUPAC Name (2s,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-17-[(1e)-1,5-di(methyl)hexa-1,4-dienyl]-12-hydroxy-4,4,8,10,14-pentamethyl-3-oxido-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 620.857 g·mol−1
Heat of Formation -1753.2 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 780.94 Å 3
Surface Area 554.76 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-17-[(1e)-1,5-dimethylhexa-1,4-dienyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-17-[(1e)-1,5-dimethylhexa-1,4-dienyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2e)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey OZTXYFOXQFKYRP-TXRYYSRHSA-N
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