(10S,11R,14S,16S,20S,21R,24E)-14,16-Dihydroxy-20-{(2S,3S,7R,8R,10E)-11-[(Hydroxymethyl)(Methyl)Amino]-2,8-Dimethoxy-3,7-Dimethyl-6-Oxo-10-Undecen-1-Yl}-10-Methoxy-11,21-Dimethyl-3,7,19,27-Tetraoxa-29,30,31-Triazatetracyclo[24.2.1.1~2,5~.1~6,9~]Hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-Heptaene-12,18-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C44H64N4O13
IUPAC Name (10s,11r,14s,16s,20s,21r,24e)-14,16-dihydroxy-20-{(2s,3s,7r,8r,10e)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7-dimethyl-6-oxo-10-undecen-1-yl}-10-methoxy-11,21-dimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1 2,5 .1 6,9 ]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaene-12,18-dione
Molecular Mass 856.998 g·mol−1
Heat of Formation -2037.5 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 1045.4 Å 3
Surface Area 745.51 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • jas
  • jaspisamide a
InChIKey VMTDLKOWOZYTPX-RZKNNNBGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N