(1R,14R)-9,21,26-Trimethoxy-15,31-Dimethyl-7,24-Dioxa-15,31-Diazaheptacyclo[23.6.2.2~3,6~.1~8,12~.0~14,19~.0~18,23~.0~28,32~]Hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-Dodecaen-22-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C37H40N2O6
IUPAC Name (1r,14r)-9,21,26-trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.2 3,6 .1 8,12 .0 14,19 .0 18,23 .0 28,32 ]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodecaen-22-ol
Molecular Mass 608.723 g·mol−1
Heat of Formation -594.5 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 723.15 Å 3
Surface Area 507.26 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • panurensine (alkaloid)
CAS Number(s)
  • 55701-99-0
InChIKey CLRFYZIIRGIXMT-LOYHVIPDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N