1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,4,6,8,10,12,14,16,18,20-Henicosadecaenoyl]-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C41H56O7
IUPAC Name 2-(oxidomethyl)-6-[(2e,4e,6e,8e,10e,12e,16e,18e,20e)-2,6,10,15,19-penta(methyl)-21-[2,6,6-tri(methyl)cyclohexen-1-yl]henicosa-2,4,6,8,10,12,14,16,18,20-decaenoyl]oxy-tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 660.879 g·mol−1
Heat of Formation -995.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 884.92 Å 3
Surface Area 761.03 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexenyl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexenyl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexenyl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
InChIKey YSGAYBLYIWOPCW-JMMITHPASA-N
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