(17β)-17-[(4-Nitrophenyl)Disulfanyl]Estra-1,3,5(10)-Trien-3-Ol

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Properties Simple | Detailed

Formula C24H27NO3S2
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 441.606 g·mol−1
Heat of Formation -124.2 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 517.29 Å 3
Surface Area 422.74 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13-methyl-17-(4-nitrophenyl)disulfanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • 3-hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene
  • 3-hydroxy-17beta-(4-nitrophenyldithio)-1,3,5(10)-estratriene
  • estra-1,3,5(10)-trien-3-ol, 17-((4-nitrophenyl)dithio)-, (17beta)-
  • ohnpdte
CAS Number(s)
  • 83797-05-1
InChIKey PYCKYYGXDFDCCB-DJCPXJLLSA-N
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