{[(17β)-17-Hydroxy-3-Oxoandrost-4-En-19-Yl]Oxy}Acetic Acid

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name 2-[[(8r,9s,10s,13s,14s,17s)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
Molecular Mass 362.460 g·mol−1
Heat of Formation -990.8 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 437.01 Å 3
Surface Area 347.53 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(8r,9s,10s,13s,14s,17s)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
  • 2-[[(8r,9s,10s,13s,14s,17s)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]ethanoic acid
  • 2-[[(8r,9s,10s,13s,14s,17s)-17-hydroxy-3-keto-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
InChIKey RVZZNRRLHHTDMN-JPRZGNOKSA-N
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