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Valtrate

Valtrate structure

CAS No:
18296-44-1
Formula:
C22H30O8
Chemical Name:
Valtrate
Synonyms:
Butanoic acid,3-methyl-,1,1′-[(1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl] ester;Butanoic acid,3-methyl-,4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester,[1S-(1α,6α,7β,7aα)]-;Butanoic acid,3-methyl-,(1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester;Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane],butanoic acid deriv.;Valepotriate;Valtrate;Valtratum;Halazuchrome B;Baldrisedon;5372-75-8;15769-76-3;25166-79-4
Categories:
Biochemical Engineering > Chinese Herbs

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Description

Valepotriate, isolated from Valeriana jatamansi Jones, has anti-epileptic and anti-cancer activities[1][2].

Valtratum is a fatty acid ester.

Valtrate Basic Attributes

Molecular Weight：

422.47

Exact Mass：

422.47

EC Number：

242-174-2

UNII：

L3JQ035X9B

HScode：

29329990

Characteristics

PSA：

101

XLogP3：

2.36

Density：

1.22±0.1 g/cm3(Predicted)

Boiling Point：

525.9±50.0 °C(Predicted)

Flash Point：

226.5±30.2 °C

Refractive Index：

1.528

Vapor Pressure：

3.75E-11mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

Baldrisedon

Valtrate Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

Computed Properties

Molecular Weight:422.5
XLogP3:1.8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:422.19406791
Monoisotopic Mass:422.19406791
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:765
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

[2-[4-Methyl-2-(2-methyl-1-oxopropoxy)phenyl]-2-oxiranyl]methyl 2-methylbutanoate

22518-07-6
Xanthydrol

90-46-0
CAFFEIC ACID, 3-METHYL PHENETHYL ESTER

71835-85-3
Berberine Formula

2086-83-1
Umbelliferone Formula

93-35-6
Fumonisin B1 Formula

116355-83-0
(-)-Loganin Structure

18524-94-2
Bilobalide Structure

33570-04-6
What is BERBERINE CHLORIDE

141433-60-5
What is Baicalein

491-67-8

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Guide of Valtrate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Valtrate

SDS

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