(3β,17β)-3-Hydroxy-17-[(4-Methylpentyl)Oxy]Androst-5-En-7-One

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Properties Simple | Detailed

Formula C25H40O3
IUPAC Name (3s,8r,9s,10r,13s,14s,17s)-3-hydroxy-17-isohexyloxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 388.583 g·mol−1
Heat of Formation -749.6 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 516.06 Å 3
Surface Area 418.57 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-17-(4-methylpentoxy)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
  • (3s,8r,9s,10r,13s,14s,17s)-3-hydroxy-17-isohexyloxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
  • 7-keto-20-oxacholesterol
  • androst-5-en-7-one, 3-hydroxy-17-((4-methylpentyl)oxy)-, (3beta,17beta)-
  • sc 31769
  • sc-31769
CAS Number(s)
  • 67147-65-3
InChIKey SJZPZPMYNGNTRV-GTZSVAMFSA-N
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