Didrovaltrate

Modify Date: 2024-01-02 12:00:51

Didrovaltrate structure	Common Name	Didrovaltrate
	CAS Number	18296-45-2	Molecular Weight	424.485
	Density	1.2±0.1 g/cm3	Boiling Point	507.5±50.0 °C at 760 mmHg
	Molecular Formula	C₂₂H₃₂O₈	Melting Point	63-64℃
	MSDS	N/A	Flash Point	217.7±30.2 °C

Use of Didrovaltrate

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

Name	[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Synonym	More Synonyms

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.

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

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

Hazard Codes	Xi

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