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Praeruptorin E

Praeruptorin E structure

CAS No:
72463-77-5
Formula:
C24H28O7
Chemical Name:
Praeruptorin E
Synonyms:
Wulongensin A;(2Z)-2-Methyl-2-butenoic acid (9R,10R)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester;(9R,10R)-8,8-Dimethyl-10-[(2-methylbutanoyl)oxy]-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methylbut-2-enoate;2-Butenoic acid,2-methyl-,(9R,10R)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-ylester, (2Z)-;(9R,10R)-8,8-dimethyl-10-[(2-methylbutanoyl)oxy]-2-oxo-9,10-...;White flower before Hu Bingin
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Praeruptorin E Basic Attributes

Molecular Weight：

428.48

Exact Mass：

428.47

Color/Form：

White to off-white

Characteristics

PSA：

92.04000

XLogP3：

4.47240

Density：

1.22

Melting Point：

132-134℃

Boiling Point：

516.5±50.0 °C(Predicted)

Flash Point：

221.379ºC

Refractive Index：

1.56

Drug Information

MeSH Entry Terms：

2-methyl-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b)dipyran-9-ol ester of 2-butenolc acid

Praeruptorin E Use and Manufacturing

Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].

Computed Properties

Molecular Weight:428.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:428.18350323
Monoisotopic Mass:428.18350323
Topological Polar Surface Area:88.1
Heavy Atom Count:31
Complexity:779
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Wulongensin A

CAS No.: 72463-77-5

Grade: Industrial Grade

Content: 98%

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