Home > Name List By e > Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-

CAS No 561-94-4 , Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-

  • Name: Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-
  • Synonyms: 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trionederiv.; Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv.; a-Ergosine;Ergosine(6CI,7CI,8CI);Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-; NSC 122047;
  • CAS Registry Number:
  • Transport: 1544
  • Flash Point: 474.7°C
  • Boiling Point: 861.4°Cat760mmHg
  • Density: 1.42g/cm3
  • Refractive index: 1.699
  • Flash Point: 474.7°C
  • EINECS: 209-226-6
  • Molecular Weight: 547.64528
  • InChI: InChI=1/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)
  • Molecular Formula: C30H37 N5 O5
  • Molecular Structure:CAS No:561-94-4 Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-

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References of Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'a)-
Title: Ergosine
CAS Registry Number: 561-94-4
CAS Name: 12￠-Hydroxy-2￠-methyl-5￠a-(2-methylpropyl)ergotaman-3￠,6￠,18-trione
Molecular Formula: C30H37N5O5
Molecular Weight: 547.65
Percent Composition: C 65.79%, H 6.81%, N 12.79%, O 14.61%
Literature References: Isoln of ergosine and ergosinine from ergot: Smith, Timmis, J. Chem. Soc. 1937, 396. Structure: Stoll et al., Helv. Chim. Acta 34, 1544 (1951). Stereochemistry: Stoll et al., ibid. 37, 2039 (1954). Total synthesis of ergosine and ergosinine: Stadler et al., ibid. 47, 1911 (1964).
Properties: Prisms from ethyl acetate, dec 228°. [a]D20 -161° (chloroform). Sol in chloroform; fairly sol in methanol, acetone; sparingly sol in ethyl acetate, benzene.
Optical Rotation: [a]D20 -161° (chloroform)
 
Derivative Type: 8a-Isomer
Synonyms: Ergosinine; ergoclavinine
Molecular Formula: C30H37N5O5
Molecular Weight: 547.65
Percent Composition: C 65.79%, H 6.81%, N 12.79%, O 14.61%
Properties: Prisms from 90% alcohol, aq acetone, benzene or ethyl acetate, dec 228°. Also reported as colorless needles, mp 190-191° (dec), Stadler et al., loc. cit. [a]D20 +420° (chloroform); [a]D20 +380° (acetone). Very readily sol in chloroform; readily sol in acetone; less sol in ethyl acetate; sparingly sol in benzene; very sparingly sol in methyl alcohol; almost insol in water.
Melting point: mp 190-191° (dec), Stadler et al., loc. cit
Optical Rotation: [a]D20 +420° (chloroform); [a]D20 +380° (acetone)
 
NOTE: Ergoclavine is an equimolar mixture of ergosine and ergosinine.