CAS No 545-26-6 , Card-20(22)-enolide,3,14,16-trihydroxy-, (3b,5b,16b)-

Name: Card-20(22)-enolide,3,14,16-trihydroxy-, (3b,5b,16b)-
Synonyms: 16b-Hydroxydigitoxigenin; NSC 407807;5b-Card-20(22)-enolide, 3b,14,16b-trihydroxy- (6CI,8CI);Card-20(22)-enolide,3,14,16-trihydroxy-, (3b,5b,16b)-; Gitoxigenin;
CAS Registry Number:545-26-6
Transport: UN 1544 6.1/PG 1
Melting Point: ~230 °C
Flash Point: 203.6°C
Boiling Point: 591°Cat760mmHg
Density: 1.297g/cm³
Refractive index: 1.609
Safety Statements: 36/37/39-45
Hazard Symbols: T
Flash Point: 203.6°C
EINECS: 208-886-2
Molecular Weight: 390.51
InChI: InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3
Risk Statements: 23/24/25
Molecular Formula: C23H34 O5
Molecular Structure:

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References of Card-20(22)-enolide,3,14,16-trihydroxy-, (3b,5b,16b)-

Title: Gitoxigenin
CAS Registry Number: 545-26-6
CAS Name: (3b,5b,16b)-3,14,16-Trihydroxycard-20(22)-enolide
Synonyms: D20,22-3,14,16,21-tetrahydroxynorcholenic acid lactone
Molecular Formula: C23H34O5
Molecular Weight: 390.51
Percent Composition: C 70.74%, H 8.78%, O 20.49%
Literature References: The aglycon of gitoxin. By refluxing gitoxin in a mixture of water + alcohol + HCl: Smith, J. Chem. Soc. 1931, 23. Structure: Jacobs, Elderfield, J. Biol. Chem. 100, 671 (1933); Elderfield, Chem. Rev. 17, 217 (1935); Henderson, Chen, J. Med. Pharm. Chem. 5, 988 (1962). Configuration: Moore, Helv. Chim. Acta 37, 659 (1954); Repke, Klesczewski, Arch. Exp. Pathol. Pharmakol. 239, 131 (1960). Cf. ref under Digoxigenin.

Derivative Type: Sesquihydrate
Properties: Plates from dil alc. After drying at 100° in vacuo mp 234°. [a]54520 +38.5° (c = 0.68 in methanol). Absorption max (96% H2SO4): 310, 485, 520 nm. Slightly sol in alcohol, acetone, ethyl acetate. Treatment with alcoholic HCl yields digitaligenin with loss of 2H2O.
Melting point: mp 234°
Optical Rotation: [a]54520 +38.5° (c = 0.68 in methanol)
Absorption maximum: Absorption max (96% H2SO4): 310, 485, 520 nm

Derivative Type: 3,16-Diacetylgitoxigenin
Properties: mp 249-250°.
Melting point: mp 249-250°

Derivative Type: 3,16-Dibenzoylgitoxigenin
Properties: mp 262°.
Melting point: mp 262°