(11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-Trimethoxy-11,12,24,25-Tetramethyl-4,6,9,14-Tetraoxapentacyclo[13.7.3.0~3,7~.0~8,22~.0~16,21~]Pentacosa-1(22),2,7,16,18,20-Hexaen-13-One

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Formula C28H34O10
IUPAC Name (11s,12r,15s,24s,25s)-12,25-dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.0 3,7 .0 8,22 .0 16,21 ]pentacosa-1(22),2,7,16,18,20-hexaen-13-one
Molecular Mass 530.564 g·mol−1
Heat of Formation -1519.7 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 595.66 Å 3
Surface Area 432.98 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 5,13-(epoxybutanoxy)benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-18-one, 5,6,7,8-tetrahydro-6,17-dihydroxy-1,2,3-trimethoxy-6,7,16,17-tetramethyl-, stereoisomer
CAS Number(s)
  • 60546-10-3
InChIKey VLLFEMVDMFTBHG-SMWGPYIJSA-N
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