Ergosterol endoperoxide

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Names

[ CAS No. ]:
2061-64-5

[ Name ]:
Ergosterol endoperoxide

[Synonym ]:
5α,8α-epidioxy-22E-ergosta-6,22-dien-3β-ol
Ergosterol peroxide
Peroxyergosterol
(3S,5S,8S,9R,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol
3b,5a-Etheno-1H-benz[c]indeno[5,4-e][1,2]dioxin-7-ol, 2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-9a,11a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1R,3aR,3bS,5aS,7S,9aR,9bR,11aR)-
UNII:UG9TN81TGH
Ergosterol endoperoxide
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0.0.0]nonadec-18-en-13-ol
Ergosterol 5.alpha.,8.alpha.-epidioxide
Ergosterol 5.α.,8.α.-epidioxide
ergosterol-5,8-peroxide
5α,8α-Ergosta-6,22-dien-3β-ol, 5,8-epidioxy-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
499.7±45.0 °C at 760 mmHg

[ Molecular Formula ]:
C28H44O3

[ Molecular Weight ]:
428.647

[ Flash Point ]:
256.0±28.7 °C

[ Exact Mass ]:
428.329041

[ PSA ]:
38.69000

[ LogP ]:
7.68

[ Vapour Pressure ]:
0.0±2.9 mmHg at 25°C

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE7289000
CHEMICAL NAME :
5-alpha,8-alpha-Ergosta-6,22-dien-3-beta-ol, 5,8-epidioxy-
CAS REGISTRY NUMBER :
2061-64-5
BEILSTEIN REFERENCE NO. :
0096852
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C28-H44-O3
MOLECULAR WEIGHT :
428.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
30 mg/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 46,461,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
60 mg/kg
SEX/DURATION :
female 6-7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 46,461,1976

Safety Information

[ Hazard Codes ]:
Xi

Precursor & DownStream

Precursor

DownStream

  • (3β,6α,9ξ,14ξ,22E)-6-Hydroxyergosta-7,22-dien-3-yl acetate

Related Compounds

  • Ergosterol endoperoxide
  • ergosterol 5,8-endoperoxide acetate
  • Ergosterol glucoside
  • Ergosterol
  • Ergosterol peroxide glucoside
  • ergosterol mesylate
  • 1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
  • 4-Methoxybutane-2-sulfinyl chloride
  • 2-Hydroxy-3-[4-methyl-3-(trifluoromethyl)phenyl]propanoic acid
  • 2,2-Difluoro-1-(6-methoxypyridin-2-yl)cyclopropane-1-carboxylic acid
  • 2-{1-[4-Methyl-3-(trifluoromethyl)phenyl]cyclopropyl}acetic acid
  • (1S)-3-amino-1-[4-methyl-3-(trifluoromethyl)phenyl]propan-1-ol
  • 3,3,3-Trifluoro-2-(6-methoxypyridin-2-yl)propan-1-amine
  • 3,3-Difluoro-1-(6-methoxypyridin-2-yl)cyclobutan-1-amine
  • [4,4-Difluoro-1-(6-methoxypyridin-2-yl)cyclohexyl]methanamine
  • 2-(3-Chlorothiophen-2-yl)-3,3-difluoropropan-1-amine
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