 Home > Encyclopedia > 2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester

2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester

2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester structure

CAS No:
53023-18-0
Formula:
C21H22O7
Chemical Name:
2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester
Synonyms:
2-Butenoic acid,3-methyl-,(9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester;2-Butenoic acid,3-methyl-,9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester,(9R-cis)-;2H,8H-Benzo[1,2-b:3,4-b′]dipyran,2-butenoic acid deriv.;3′(R),4′(R)-3′-Acetoxy-4′-senecioyloxy-3′,4′-dihydroseselin;Isosamidin;(-)-Isosamidin

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Description

Isosamidin is a member of coumarins.

2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester Basic Attributes

Molecular Weight：

386.4 g/mol

Exact Mass：

386.40

DSSTox ID：

DTXSID20331747

Characteristics

PSA：

88.1 Å²

Computed Properties

Molecular Weight:386.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:386.13655304
Monoisotopic Mass:386.13655304
Topological Polar Surface Area:88.1
Heavy Atom Count:28
Complexity:716
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Butenoic acid, 3-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester

Description
Basic Attributes
Characteristics
Computed Properties
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