Didrovaltrate

Names

[ 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

Biological Activity

[Description]:

Didrovaltrate (Didrovaltratum), isolated from the roots of Valeriana wallichii D.C, is a cytotoxic and antitumor agent[1].

[Related Catalog]:

Research Areas >> Cancer

Signaling Pathways >> Others >> Others

[References]

[1]. Bounthanh C, et al. Valepotriates, a new class of cytotoxic and antitumor agents. Planta Med. 1981;41(1):21-28.

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