Home > Name List By 3 > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10, 13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16, 17-tetradecahydrocyclo...

CAS No 1672-46-4 , 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,
13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,
17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

  • Name: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,
    13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,
    17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • Synonyms: ST056392;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,
    13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,
    17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Lanadigigenin; HSDB 7108; EINECS 216-806-2; BRN 0096479; 1672-46-4; Digoxigenine;Lanadigenin;
  • CAS Registry Number:
  • Transport: UN 2811 6
  • Density: 1.297 g/cm3
  • Refractive index: 1.609
  • Safety Statements: 36/37/39-45
  • Hazard Symbols: T+: Very toxic;
  • EINECS: 216-806-2
  • Molecular Weight: 390.51306
  • InchiKey: SHIBSTMRCDJXLN-KCZCNTNESA-N
  • InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16
    (6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,
    1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
  • Risk Statements: 26/27/28
  • Molecular Formula: C23H34O5
  • Molecular Structure:CAS No:1672-46-4 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,<br />13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,<br />17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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References of 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,
13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,
17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Title: Digoxigenin
CAS Registry Number: 1672-46-4
CAS Name: (3b,5b,12b)-3,12,14-Trihydroxycard-20(22)-enolide
Synonyms: D20:22-3b,12b,14,21-tetrahydroxynorcholenic acid lactone; lanadigenin
Molecular Formula: C23H34O5
Molecular Weight: 390.51
Percent Composition: C 70.74%, H 8.78%, O 20.49%
Literature References: The aglycone of digoxin. By hydrolysis of digoxin: Smith, J. Chem. Soc. 1930, 508. From Digitalis orientalis L. and D. lanata Ehrh., Scrophulariaceae: Mannick, Schneider, Arch. Pharm. 279, 223 (1941); Pataki et al., Helv. Chim. Acta 36, 1295 (1953). Structure: Meyer, Reichstein, Experientia 9, 253 (1953); Cardwell, Smith, ibid. 367; eidem, J. Chem. Soc. 1954, 2012. Synthesis: P. Welzel, H. Stein, Tetrahedron Lett. 22, 3385 (1981).
 
Derivative Type: Dihydrate
Properties: Prismatic rods from dil alc. Anhydr as stout prisms from ethyl acetate, mp 222°. [a]20546 +27.0° (c = 1.77 in methanol). Although it is a 3b-alcohol, it is not precipitated by digitonin (Pataki).
Melting point: mp 222°
Optical Rotation: [a]20546 +27.0° (c = 1.77 in methanol)
 
Derivative Type: 3,12-Diacetyldigoxigenin
Properties: Prisms from dil methanol, mp 222-223°. [a]20546 +61.3° (c = 2 in methanol).
Melting point: mp 222-223°
Optical Rotation: [a]20546 +61.3° (c = 2 in methanol)