Cucurbitacin I

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Names

[ CAS No. ]:
2222-07-3

[ Name ]:
Cucurbitacin I

[Synonym ]:
2,16,20,26-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,24-triene-1,11,23-trione
CUCURBITACIN I
Estra-1,5-diene-3,11-dione, 17-(1,6-dihydroxy-1,5-dimethyl-3-oxo-4-hexen-1-yl)-2,16-dihydroxy-4,4,9,14-tetramethyl-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
716.9±60.0 °C at 760 mmHg

[ Melting Point ]:
148-150ºC

[ Molecular Formula ]:
C30H42O7

[ Molecular Weight ]:
514.650

[ Flash Point ]:
401.3±29.4 °C

[ Exact Mass ]:
514.293030

[ PSA ]:
132.13000

[ LogP ]:
2.06

[ Vapour Pressure ]:
0.0±5.2 mmHg at 25°C

[ Index of Refraction ]:
1.594

[ Storage condition ]:
−20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RC6200000
CHEMICAL NAME :
19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22- trione, 9-methyl-2,16,20,25- tetrahydroxy-
CAS REGISTRY NUMBER :
2222-07-3
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C30-H42-O7
MOLECULAR WEIGHT :
514.72
WISWESSER LINE NOTATION :
L E5 B666 CV OV LU PUTJ B1 E1 FXQ1&V1U1XQ1&1 GQ I1 N1 N1 PQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 4,459,1969

Safety Information

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R28

[ Safety Phrases ]:
S28-S36/37-S45

[ RIDADR ]:
UN 2811

[ RTECS ]:
RC6200000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cucurbitacin E

DownStream

Related Compounds

  • Cucurbitacin IIB
  • Cucurbitacin IIA
  • dihydrocucurbitacin I
  • Cucurbitacin IIa 2-O-glucoside
  • Cucurbitacin B 2-O-beta-D-glucoside
  • cucurbitacin c
  • N1-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
  • 1-chloro-N-[(furan-2-yl)methyl]isoquinoline-3-carboxamide
  • 1-chloro-N-methyl-N-phenylisoquinoline-3-carboxamide
  • 2-[Chloro(phenyl)methyl]-5-(3-methylbutyl)-1,3,4-oxadiazole
  • 2-[Chloro(phenyl)methyl]-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
  • 1-(2,2,2-Trifluoroethoxy)isoquinoline-3-carboxylic acid
  • 1-(Pyrrolidin-1-yl)isoquinoline-3-carboxylic acid
  • 46-Dimethylcurvulinic acid
  • 1-chloro-N-pyridin-2-ylisoquinoline-3-carboxamide
  • 1-chloro-N-[(oxolan-2-yl)methyl]isoquinoline-3-carboxamide
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