(9β,10Alpha)-6-Methoxypregna-4,6-Diene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H30O3
IUPAC Name (8s,9r,10s,13s,14s,17s)-17-acetyl-6-methoxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 342.472 g·mol−1
Heat of Formation -530.3 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 431.09 Å 3
Surface Area 343.01 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 4136-08-7
InChIKey CIWNJMYTEHAMBY-SJGKADBUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O