(10R)-10-Hydroxy-2-Oxatricyclo[13.2.2.1~3,7~]Icosa-1(17),3(20),4,6,15,18-Hexaen-4-Yl α-D-Galactopyranoside

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Formula C25H32O8
IUPAC Name (2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[[(10r)-10-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(18),3,5,7(20),15(19),16-hexaen-4-yl]oxy]tetrahydropyran-3,4,5-triol
Molecular Mass 460.517 g·mol−1
Heat of Formation -1364.4 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 536.71 Å 3
Surface Area 416.72 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 10-hydroxy-2-oxatricyclo[13.2.2.1~3,7~]icosa-1(17),3(20),4,6,15,18-hexaen-4-yl hexopyranoside
  • 2-hydroxymethyl-6-(10-hydroxy-2-oxa-tricyclo[13.2.2.1^(3,7)]icosa-1(18),3(20),4,6,15(19),16-hexaen-4-yloxy)-tetrahydro-pyran-3,4,5-triol
  • aceroside b1
  • hexopyranoside, (10r)-10-hydroxy-2-oxatricyclo[13.2.2.1~3,7~]eicosa-3,5,7(20),15,17,18-hexaen-4-yl
InChIKey JTRDCQXYJNZURE-UHINFALASA-N
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