(3α)-7-Methoxy-1,2-Didehydrocrinan-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C17H19NO4
IUPAC Name (3alpha)-7-methoxy-1,2-didehydrocrinan-3-ol
Molecular Mass 301.337 g·mol−1
Heat of Formation -425.3 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 338.88 Å 3
Surface Area 291.23 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • crinan-3-ol, 1,2-didehydro-7-methoxy-, (3alpha)-
  • powellin
  • powelline
CAS Number(s)
  • 7363-25-9
InChIKey VXTCKUJRGBGTEH-NCAQKEMTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N