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
  • 5-[3-(Aminomethyl)phenyl]thiophene-2-carbonitrile
  • 5-({[(1-cyano-1,2-dimethylpropyl)carbamoyl]methyl}amino)-2-methyl-N-(propan-2-yl)benzamide
  • (E)-N-[2-(2-cyanoethylsulfanyl)phenyl]-2-phenylethenesulfonamide
  • 4-Fluorobutane-1-sulfonamide
  • Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(2-pyridinylmethyl)thio]-
  • rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate
  • 6-(2,4-Difluorophenyl)-5-fluoropicolinic acid
  • Methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinate
  • rel-(1R,2R,6S)-6-Methyl-4-(3-nitropyridin-4-yl)cyclohex-3-ene-1,2-diol
  • 2-Chloro-4-morpholinothieno[3,2-d]pyrimidine-6-sulfonyl chloride
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