HELLEBRIGENIN 3-ACETATE

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Names

[ CAS No. ]:
4064-09-9

[ Name ]:
HELLEBRIGENIN 3-ACETATE

[Synonym ]:
3-O-acetylhellebrigenin
hellebrigenin-3-acetate

Chemical & Physical Properties

[ Density]:
1.31g/cm3

[ Boiling Point ]:
619.3ºC at 760 mmHg

[ Molecular Formula ]:
C26H34O7

[ Molecular Weight ]:
458.54400

[ Flash Point ]:
206.3ºC

[ Exact Mass ]:
458.23000

[ PSA ]:
114.04000

[ LogP ]:
3.10660

[ Vapour Pressure ]:
6.26E-18mmHg at 25°C

[ Index of Refraction ]:
1.597

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EI3175900
CHEMICAL NAME :
5-beta-Bufa-20,22-dienolide, 3-beta,5,14-trihydroxy-19-oxo-, 3-acetate
CAS REGISTRY NUMBER :
4064-09-9
BEILSTEIN REFERENCE NO. :
0065090
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C26-H34-O7
MOLECULAR WEIGHT :
458.60
WISWESSER LINE NOTATION :
L E5 B666TJ AVH E1 IQ MQ OOV1 F- ET6OVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
64 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,395,1950 *** REVIEWS *** TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,191,1963

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride

DownStream

Related Compounds

  • (1R,2S)-2-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
  • Indaconitine 3-acetate
  • METHYLTHIOPHENE-3-ACETATE
  • Androstenediol-3-acetate
  • methyl thiophene-3-acetate
  • 17α-Hydroxypregnenolone 3-acetate
  • methyl 2-[3-(chlorosulfonyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]acetate
  • 3-(3-Formyl-4-methoxyphenyl)thiophene-2-carbaldehyde
  • 2-Methoxy-5-(4-methyl-5-nitropyridin-3-yl)benzaldehyde
  • 3-(3-methyl-1H-pyrazol-1-yl)-6-(4-{[5-(propan-2-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyridazine
  • [3-(Aminomethyl)-3-ethylpentyl]dimethylamine
  • N-methyl-N-(1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidin-4-yl)cyclopropanesulfonamide
  • 4-cyclohexyl-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
  • Methyl 4,5-dimethoxypent-2-ynoate
  • 2-(2-bromoethenyl)-1-(prop-2-yn-1-yl)-1H-imidazole
  • 1-(1-methoxypropan-2-yl)-1H-imidazol-4-amine
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