(3β)-19-Hydroxy-3-Methoxypregn-5-En-20-One

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Properties Simple | Detailed

Formula C22H34O3
IUPAC Name 1-[(3s,8s,9s,10s,13s,14s,17s)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 346.504 g·mol−1
Heat of Formation -676.9 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 442.85 Å 3
Surface Area 350.05 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,8s,9s,10s,13s,14s,17s)-10-(hydroxymethyl)-3-methoxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 1-[(3s,8s,9s,10s,13s,14s,17s)-3-methoxy-13-methyl-10-methylol-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 19-hydroxypregnenolone 3-methyl ether
  • pregn-5-en-20-one, 19-hydroxy-3-methoxy-, (3beta)-
CAS Number(s)
  • 58994-45-9
InChIKey QUJIZXGNCGEHDK-GPNQSEPASA-N
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