(11β)-11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Yl Sulfate

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Formula C21H30O8S
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-oxoethyl] sulfate
Molecular Mass 442.523 g·mol−1
Heat of Formation -1201.5 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 494.8 Å 3
Surface Area 390.07 Å 2
Point Group Symmetry C1
Synonyms
  • [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] sulfate
  • [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] sulfate
InChIKey JOVLCJDINAUYJW-VWUMJDOOSA-M
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