Esculentoside A

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Names

[ CAS No. ]:
65497-07-6

[ Name ]:
Esculentoside A

[Synonym ]:
Esculentoside
4-O-(2,23,28-Trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl hexopyranoside
EsculentosideA
(2β,3β)-3-{[4-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-29-oic acid
Phytolacaponin E
Hexopyranoside, 4-O-(2,23,28-trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl
Olean-12-ene-29,30-dioic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-2,23-dihydroxy-, 30-methyl ester, (2β,3β)-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
935.8±65.0 °C at 760 mmHg

[ Molecular Formula ]:
C42H66O16

[ Molecular Weight ]:
826.964

[ Flash Point ]:
275.1±27.8 °C

[ Exact Mass ]:
826.435059

[ PSA ]:
262.36000

[ LogP ]:
3.01

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.620

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RK0177530
CHEMICAL NAME :
Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-((4-O-beta-D-glucopyranosyl-beta-D- xylopyranosyl)oxy)-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-
CAS REGISTRY NUMBER :
65497-07-6
LAST UPDATED :
198706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C42-H66-O16
MOLECULAR WEIGHT :
827.08

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
42300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
SYHJAM Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. (Hanguk Saengyak Hakhoe, c/o Natural Products Institute, Seoul National Univ., 28 Yunkeon-Dong, Chong-ro-ku, Seoul 110, Korea) 1970- Volume(issue)/page/year: 10,73,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
SHZAAY Shoyakugaku Zasshi. Journal of Pharmacognosy. (Nippon Shoyaku Gakkai, c/o Nippon Gakkai Jimu Senta, 2-4-16 Yayoi, Bunkyo-ku, Tokyo 113, Japan) V.6- 1952- Volume(issue)/page/year: 33,111,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
486 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
SHZAAY Shoyakugaku Zasshi. Journal of Pharmacognosy. (Nippon Shoyaku Gakkai, c/o Nippon Gakkai Jimu Senta, 2-4-16 Yayoi, Bunkyo-ku, Tokyo 113, Japan) V.6- 1952- Volume(issue)/page/year: 33,111,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23600 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
SYHJAM Saengyak Hakhoechi. Journal of the Society of Pharmacognosy. (Hanguk Saengyak Hakhoe, c/o Natural Products Institute, Seoul National Univ., 28 Yunkeon-Dong, Chong-ro-ku, Seoul 110, Korea) 1970- Volume(issue)/page/year: 10,73,1979

Safety Information

[ Safety Phrases ]:
24/25

Related Compounds

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  • 4-((5-Bromothiophen-2-yl)sulfonyl)-7-phenyl-1,4-thiazepane
  • Methyl 3-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]thiophene-2-carboxylate
  • Methyl 4-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]benzoate
  • 5-((7-phenyl-1,4-thiazepan-4-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
  • (7-(2-Chlorophenyl)-1,4-thiazepan-4-yl)(4-fluorophenyl)methanone
  • 1-(7-(2-Chlorophenyl)-1,4-thiazepan-4-yl)-2-(thiophen-2-yl)ethanone
  • 3-(7-(2-chlorophenyl)-1,4-thiazepane-4-carbonyl)-2H-chromen-2-one
  • 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-1,4-thiazepane-4-carboxamide
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