(11R)-11,17-Dihydroxy-3,4-Dimethoxytricyclo[12.3.1.1~2,6~]Nonadeca-1(18),2(19),3,5,14,16-Hexaen-5-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H36O10
IUPAC Name (2s,3r,4s,5s,6r)-2-[[(11r)-11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 520.569 g·mol−1
Heat of Formation -1661.0 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 605.31 Å 3
Surface Area 448.08 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranoside, 3,9-dihydroxy-16,17-dimethoxytricyclo(12.3.1.1(2,6))nonadeca-1(18),2,4,6(19),14,16-hexaen-15-yl, (r)-
  • myricanol-15-glucoside
CAS Number(s)
  • 90052-02-1
InChIKey NPSYWDNXSMBWKP-LMNFFIPXSA-N
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