(11β)-11-Hydroxypregna-1,4-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C21H28O3
IUPAC Name (8s,9s,10r,11s,13s,14s,17s)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 328.445 g·mol−1
Heat of Formation -549.7 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 410.75 Å 3
Surface Area 322.99 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17s)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17s)-17-ethanoyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • delta-hop
  • pregna-1,4-diene-11-ol-3,20-dione
  • pregna-1,4-diene-3,20-dione, 11-hydroxy-, (11beta)-
CAS Number(s)
  • 4224-37-7
InChIKey XYVVSFGOAQGVRE-ATWVFEABSA-N
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