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CAS No 561-07-9 , Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-

  • Name: Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-
  • Synonyms: NSC 56463; Indaconitine, N-deethyl-3-deoxy-N-methyl- (7CI);Delphinine(8CI);2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,13,14-triol deriv.;Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-;
  • CAS Registry Number:
  • Flash Point: 345°C
  • Boiling Point: 646.8°Cat760mmHg
  • Density: 1.31g/cm3
  • Refractive index: 1.596
  • Flash Point: 345°C
  • EINECS: 209-214-0
  • Molecular Weight: 599.72
  • InChI: InChI=1/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1
  • Molecular Formula: C33H45 N O9
  • Molecular Structure:CAS No:561-07-9 Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-
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561-07-9 Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-

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561-07-9 DELPHININE

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References of Aconitane-8,13,14-triol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,16b)-
Title: Delphinine
CAS Registry Number: 561-07-9
CAS Name: (1a,6a,14a,16b)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14-triol 8-acetate 14-benzoate
Molecular Formula: C33H45NO9
Molecular Weight: 599.71
Percent Composition: C 66.09%, H 7.56%, N 2.34%, O 24.01%
Literature References: A toxic alkaloid from seeds of Delphinium staphisagria L., Ranunculaceae. Isoln: Markwood, J. Am. Pharm. Assoc. 16, 928 (1927). Purification: Schneider, Arch. Pharm. 283, 283 (1950). Structure: Jacobs, Pelletier, J. Am. Chem. Soc. 78, 3542 (1956); Wiesner et al., Can. J. Chem. 47, 2734 (1969). Configuration: Wiesner et al., Tetrahedron Lett. 1959, no. 3, 12; 1960, no. 15, 23; Gilman, Marion, ibid. 1962, 923; Birnbaum et al., ibid. 1971, 867. Synthesis: Wiesner et al., Can. J. Chem. 50, 1925 (1972).
Properties: Orthorhombic, six-sided plates from alc, mp 197.5-199°. [a]D20 +25° (ethanol). Practically insol in water. Sol in 25 parts alcohol, 20 parts chloroform, 10 parts ether.
Melting point: mp 197.5-199°
Optical Rotation: [a]D20 +25° (ethanol)
 
Derivative Type: Hydrochloride
Molecular Formula: C33H45NO9.HCl
Molecular Weight: 636.17
Percent Composition: C 62.30%, H 7.29%, N 2.20%, O 22.63%, Cl 5.57%
Properties: Crystals, dec 214°.