(3α,5α,6α,11Beta)-3,6,11,17,21-Pentahydroxypregnan-20-One

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Properties Simple | Detailed

Formula C21H34O6
IUPAC Name 2-hydroxy-1-[(3r,5s,6s,8s,9s,10s,11s,13s,14s,17r)-3,6,11,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 382.491 g·mol−1
Heat of Formation -1306.3 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 459.84 Å 3
Surface Area 351.64 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-1-[(3r,5s,6s,8s,9s,10s,11s,13s,14s,17r)-3,6,11,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3,6,11,17,21-pentahydroxypregnan-20-one
  • 6ahathcl
  • 6alpha-hydroxy(allo)tetrahydrocortisol
  • pregnan-20-one, 3,6,11,17,21-pentahydroxy-, (3alpha,5alpha,6alpha,11beta)-
CAS Number(s)
  • 67010-78-0
InChIKey YZEJGGKLJNZFGY-QZJGIPCSSA-N
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