11,20-Dihydroxy-3-Oxopregn-4-En-21-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (2s)-2-hydroxy-2-[(8s,9s,10r,11r,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Molecular Mass 362.460 g·mol−1
Heat of Formation -1041.2 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 442.36 Å 3
Surface Area 347.05 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
InChIKey NCZRCNAAHNGILW-QYQWGMGISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O