(3S,3Ar,9Ar,9Bs)-9B-[2-(Dimethylamino)Ethyl]-5-Methoxy-3,3A,9A,9B-Tetrahydrophenanthro[4,5-Bcd]Furan-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H23NO3
IUPAC Name (3s,3ar,9ar,9bs)-9b-[2-(dimethylamino)ethyl]-5-methoxy-3,3a,9a,9b-tetrahydrophenanthro[4,5-bcd]furan-3-ol
Molecular Mass 313.391 g·mol−1
Heat of Formation -254.6 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 383.7 Å 3
Surface Area 322.26 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-codeimethine
  • phenanthro(4,5-bcd)furan-3-ol, 9b-(2-(dimethylamino)ethyl)-3,3a,9a,9b-tetrahydro-5-methoxy-, (3s-(3alpha,3abeta,9abeta,9bbeta))-
CAS Number(s)
  • 23950-06-3
InChIKey ZOCTZZQDDXGIRB-WXRFYESLSA-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