Pivalone

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Formula C26H38O5S
IUPAC Name s-[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] 2,2-dimethylpropanethioate
Molecular Mass 462.642 g·mol−1
Heat of Formation -502.2 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 559.9 Å 3
Surface Area 421.81 Å 2
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanethioic acid s-[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
  • 2,2-dimethylpropanethioic acid s-[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
  • d06171
  • s-[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] 2,2-dimethylpropanethioate
  • s-[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] 2,2-dimethylpropanethioate
  • tixocortol pivalate (usan)
CAS Number(s)
  • 55560-96-8
InChIKey BISFDZNIUZIKJD-XDANTLIUSA-N
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