(11β,20S)-11,17,20-Trihydroxy-3-Oxo-N-Propylpregna-1,4-Dien-21-Amide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H35NO5
IUPAC Name (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-n-propyl-acetamide
Molecular Mass 417.538 g·mol−1
Heat of Formation -978.4 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 512.21 Å 3
Surface Area 399.16 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-n-propyl-acetamide
  • (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-n-propyl-ethanamide
  • (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-n-propylacetamide
  • (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-n-propyl-acetamide
  • n-propyl-20-dihydroprednisolonamide
  • pdhpa
CAS Number(s)
  • 97142-21-7
InChIKey QCSKXRDWWIHQMW-SSPJBBJHSA-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