4,4,4-Trifluoro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)-1,3-butanediol (non-pre ferred name) | CAS No. 102586-30-1

4,4,4-Trifluoro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)-1,3-butanediol (non-pre ferred name)

Basic Information

CAS Number

102586-30-1

Molecular Formula

C24H34F6O3

Molecular Weight

484.52 g/mol

AD

Basic Physical Properties

CC12CCC3C(C1CCC2C(CC(C(F)(F)F)(C(F)(F)F)O)O)CC=C4C3(CCC(C4)O)C

InChI

InChI=1S/C24H34F6O3/c1-20-9-7-14(31)11-13(20)3-4-15-16-5-6-18(21(16,2)10-8-17(15)20)19(32)12-22(33,23(25,26)27)24(28,29)30/h3,14-19,31-33H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19?,20-,21-/m0/s1

InChIKey

OHKBOEWLASAFLW-STFFYOTPSA-N

LogP

5.5330000000000075

Topological Polar Surface Area

60.69 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

778

Synonyms & References

English

  • Pregn-5-ene-3,20-diol, 21-(2-hydroxy-1,1,1,3,3,3-hexafluoro-2-propyl)-
  • 4,4,4-trifluoro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)butane-1,3-diol
  • 21-(Hydroxy(bistrifluoromethyl)methyl)pregnane-3,20-diol
  • 102586-30-1
  • OHKBOEWLASAFLW-DRPHTYIMSA-N
  • CEA58630
  • NSC12
  • 21-Norchol-5-ene-3,20,23-triol,24,24,24-trifluoro-23-(trifluoromethyl)-, (3b)- (9CI)

MDL Number

MFCD31544308

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