Didrovaltrate

Modify Date: 2026-07-23 19:12:14

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
InChIKey	PHHROXLDZHUIGO-PNBTUHDLSA-N
SMILES	CC(=O)OC1CC2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2

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

Name: Cytotoxicity against human PC3M cells after 24 hrs by MTT assay
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1034618

Name: Inhibition of Anti-PLA2R IgG interaction with human recombinant PLA2 receptor at 10 u...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5577318

Name: Cytotoxicity against human HCT8 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: HCT-8
External Id: CHEMBL1034616

Name: Cytotoxicity against human Bel7402 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: Bel-7402
External Id: CHEMBL1034617

Name: Cytotoxicity against human A549 cells after 24 hrs by MTT assay
Source: ChEMBL
Target: A549
External Id: CHEMBL1034615

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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

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Didrovaltrate
Price: Check
Purity: 97.5%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

BioBioPha
China
Product Name: Didrovaltrate
Price: ￥3900.0/5mg
Purity: 97.0%
Delivery: 10 Day
Contact: Xueping-Zheng
Email: 1477035482@qq.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Butanoic acid,3-methyl-,(1S,2'R,4aS,6S,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-ylester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

naturewill
China
Product Name: Didrovaltrate
Price: ￥Inquiry/5mg ￥Inquiry/20mg ￥Inquiry/100mg ￥Inquiry/1g
Purity: 98.0%
Delivery: Inquiry
Contact: Bella
Email: 3157321941@qq.com

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Didrovaltrate

Use of Didrovaltrate

Names

Didrovaltrate Biological Activity

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

DidrovaltrateBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.