Cortisol 21-Mesylate

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Properties Simple | Detailed

Formula C22H32O7S
IUPAC Name [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methanesulfonate
Molecular Mass 440.550 g·mol−1
Heat of Formation -1348.0 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 500.47 Å 3
Surface Area 382.78 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methanesulfonate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
  • methanesulfonic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • methanesulfonic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((methylsulfonyl)oxy)-, (11beta)-
CAS Number(s)
  • 6677-96-9
InChIKey AFMXNPUMXZCVGU-CWNVBEKCSA-N
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