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Decursinol angelate

Decursinol angelate structure

CAS No:
130848-06-5
Formula:
C19H20O5
Chemical Name:
Decursinol angelate
Synonyms:
2-Butenoic acid,2-methyl-,(7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b′]dipyran-7-yl ester,(2Z)-;2-Butenoic acid,2-methyl-,7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b′]dipyran-7-yl ester,[S-(Z)]-;2H,6H-Benzo[1,2-b:5,4-b′]dipyran,2-butenoic acid deriv.;Decursinol angelate;Acutilobin
Categories:
Chemical Reagents > Organic Reagents

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Decursinol angelate Basic Attributes

Molecular Weight：

328.36

Exact Mass：

328.36

UNII：

LXU5241LCL

Characteristics

PSA：

61.8

XLogP3：

3.7

Density：

1.24±0.1 g/cm3(Predicted)

Melting Point：

93-94 °C

Boiling Point：

469.4±45.0 °C(Predicted)

Drug Information

MeSH：

Compounds or factors that act on a specific enzyme to increase its activity. (See all compounds classified as Enzyme Activators.)

Metabolism/Metabolites：

Decursinol angelate has known human metabolites that include (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2,3-dimethyloxirane-2-carboxylate.

MeSH Entry Terms：

2-butenoic acid, 2-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-7-yl ester, (2Z)-

Computed Properties

Molecular Weight:328.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:328.13107373
Monoisotopic Mass:328.13107373
Topological Polar Surface Area:61.8
Heavy Atom Count:24
Complexity:589
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Decursinol Angelate 98% Purity Qianhu Coumarin Standard CAS 130848-06-5 Research Grade Reference Standard

Unit Price: $30-39 /G FOB

CAS No.: 130848-06-5

Grade: Analytical Reagent

Content: 99%

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