(8R,9S,13S,14S,16R,17R)-13-Methyl-2,4-Dinitro-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,16,17-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22N2O7
IUPAC Name (8r,9s,13s,14s,16r,17r)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Mass 378.377 g·mol−1
Heat of Formation -632.3 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 415.97 Å 3
Surface Area 343.53 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
InChIKey LLFZJKFNNKBCQE-LMBULWBFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N