Paxilline

Molecule SVG Image

Properties Simple | Detailed

Formula C27H33NO4
IUPAC Name paxilline
Molecular Mass 435.555 g·mol−1
Heat of Formation -578.4 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 522.3 Å 3
Surface Area 406.49 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bh)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta)-
  • 2h-pyrano(2'',3'':5',6')benz(1',2':6,7)indeno(1,2-b)indol-3(4bh)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2r,4bs,6as,12bs,12cr,14as)-
  • bio1_000128
  • bio1_000617
  • bio1_001106
  • bio2_000147
  • bio2_000627
  • cbiol_001842
CAS Number(s)
  • 57186-25-1
InChIKey ACNHBCIZLNNLRS-UBGQALKQSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N