(3β)-3-(Alpha-L-Arabinofuranosyloxy)-20-Oxopregna-4,6-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C28H40O8
IUPAC Name [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 504.612 g·mol−1
Heat of Formation -1531.5 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 608.5 Å 3
Surface Area 472.95 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-17-(acetyloxy)-3-(alpha-l-arabinofuranosyloxy)pregna-4,6-dien-20-one
  • 17-(acetyloxy)-3-(alpha-l-arabinofuranosyloxy)pregna-4,6-dien-20-one (3beta)-
  • 17-acetoxy-6-chloropregna-4,6-diene-20-one-3-o-alpha-arabinofuranoside
  • [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,8r,9s,10r,13s,14s,17r)-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-17-ethanoyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • caaf
  • chlormadinol acetate-3-o-alpha-arabinofuranoside
  • pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(alpha-l-arabinofuranosyloxy)-, (3beta)-
CAS Number(s)
  • 129990-43-8
InChIKey DBJOUOZKGVPNLE-HQNOGBBKSA-N
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