(3Br,4As,7Ar,12As,12Br)-12-Acetyl-11-Hydroxy-5-Methyl-3B,4,4A,5,6,7,12,12A,12B,13-Decahydrofuro[3',4':5,6]Pyrano[3,4-A]Pyrrolo[2,3-D]Carbazol-3(1H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H24N2O5
IUPAC Name (3br,4as,7ar,12as,12br)-12-acetyl-11-hydroxy-5-methyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydrofuro[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1h)-one
Molecular Mass 396.436 g·mol−1
Heat of Formation -673.6 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 447.83 Å 3
Surface Area 337.39 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 11-demethoxy-12-hydroxy-3-epi-myrtoidine
  • furo[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1h)-one, 12-acetyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydro-11-hydroxy-5-methyl-, (3br,4as,7ar,12as,12br)-
  • rel-(3br,4as,7ar,12as,12br)-12-acetyl-11-hydroxy-5-methyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydrofuro[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1h)-one
InChIKey KFAHCTHASDGJBX-YRMRWDKOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N