Tixocortol

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Formula C21H30O4S
IUPAC Name (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 378.526 g·mol−1
Heat of Formation -786.0 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 453.67 Å 3
Surface Area 353.45 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-mercapto-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-17-(2-mercaptoacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • 11beta,17-dihydroxy-21-mercapto-4-pregnen-3,20-dion
  • pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-mercapto-, (11beta)-
CAS Number(s)
  • 61951-99-3
InChIKey YWDBSCORAARPPF-VWUMJDOOSA-N
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