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-yl ester, (2Z)-
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![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-yl ester, (2Z)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/311b6a256561405ead420e687d92d7e9.png "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-yl ester, (2Z)-")
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-yl ester, (2Z)-
structure -
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CAS No:
72463-77-5
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Formula:
C24H28O7
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Chemical Name:
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-yl ester, (2Z)-
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Synonyms:
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-yl ester,(2Z)-;2-Butenoic acid,2-methyl-,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-[9α(Z),10α]]-;2H,8H-Benzo[1,2-b:3,4-b′]dipyran,2-butenoic acid deriv.;Praeruptorin C;Wulongensin A;83382-71-2
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CAS No:
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-yl ester, (2Z)- Basic Attributes
428.47500
428.47
Drug Information
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
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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