6-Formyl-3-Methoxy-20-Oxopregna-3,5-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C25H34O5
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 414.534 g·mol−1
Heat of Formation -933.1 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 512.52 Å 3
Surface Area 400.86 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methoxy-6-formyl-3,5-pregnadien-17-acetate-20-one-oxyma
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-6-methanoyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-formyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • oxyma
  • pregna-3,5-diene-6-carboxaldehyde, 17-(acetyloxy)-3-methoxy-20-oxo-
CAS Number(s)
  • 57361-81-6
InChIKey KPFBUSLHFFWMAI-HYRPPVSQSA-N
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