Didrovaltrate

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Names

[ CAS No. ]:
18296-45-2

[ Name ]:
Didrovaltrate

[Synonym ]:
Didrovaltrate
Dihydroisovalepotriate
Isovalepotriate,dihydro
Isovaltrate,dihydro
Butanoic acid, 3-methyl-, (1S,4aS,6S,7R,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl ester
Dihydroisovaltratum
Dihydroisovaltrate
Dihydrovaltrate
(1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate
(1S,4aS,6S,7R,7aS)-6-(acetyloxy)-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate
Didrovaltratum

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
507.5±50.0 °C at 760 mmHg

[ Melting Point ]:
63-64℃

[ Molecular Formula ]:
C22H32O8

[ Molecular Weight ]:
424.485

[ Flash Point ]:
217.7±30.2 °C

[ Exact Mass ]:
424.209717

[ PSA ]:
100.66000

[ LogP ]:
2.07

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.517

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7902800
CHEMICAL NAME :
Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxo butoxy) methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha, 7-beta,7a-alpha))-
CAS REGISTRY NUMBER :
18296-45-2
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H32-O8
MOLECULAR WEIGHT :
424.54

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
123 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
100 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 203,81,1988

Safety Information

[ Hazard Codes ]:
Xi

Related Compounds

  • 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-ethyl-1H-pyrazole
  • 2-[(Dimethylamino)methyl]-5-methylpyrimidine-4-carboxylic acid
  • 5-Methyl-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
  • 5-Methyl-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxylic acid
  • 5-Methyl-2-(thiophen-2-yl)pyrimidine-4-carboxylic acid
  • 2-Chloro-4-iodo-3-methylbenzenamine
  • 5-methyl-2-(2H-triazol-4-yl)pyrimidine-4-carboxylic acid
  • 2-tert-Butyl-5-methylpyrimidine-4-carboxylic acid
  • 6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
  • Morpholinosildenafil