(3β)-19-Hydroxy-20-Oxopregn-5-En-3-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H34O4
IUPAC Name [(3s,8s,9s,10s,13s,14s,17s)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 374.514 g·mol−1
Heat of Formation -898.1 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 467.28 Å 3
Surface Area 372.7 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 19-hydroxypregnenolone 3-acetate
  • 3-(acetyloxy)-19-hydroxypregn-5-en-20-one
  • [(3s,8s,9s,10s,13s,14s,17s)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,8s,9s,10s,13s,14s,17s)-17-ethanoyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,8s,9s,10s,13s,14s,17s)-17-acetyl-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
CAS Number(s)
  • 26360-40-7
InChIKey CMXIOZFFEJJBQE-XCXHLKQJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O