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Brasilinolide A

Brasilinolide A structure

CAS No:
179041-27-1
Formula:
C57H98O24
Chemical Name:
Brasilinolide A
Synonyms:
Propanedioic acid,mono[(1R,3R,5R,9S,10S,12S,13R,14R,17E,20S,22R,24S,27R,28R,30S,31R,32S)-14-[(1S,2S,3R,4R,5R,6S)-6-[[2,6-dideoxy-3-O-(1-oxopentyl)-α-L-lyxo-hexopyranosyl]oxy]-2,4-dihydroxy-1,3,5-trimethylheptyl]-3,9,20,22,24,28,30,31,32-nonahydroxy-13,27-dimethyl-16-oxo-11,15,34-trioxatricyclo[28.3.1.010,12]tetratriacont-17-en-5-yl] ester;Brasilinolide A;0406A;200496-57-7
Categories:
Organic Chemistry > Lactones

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Brasilinolide A Basic Attributes

Molecular Weight：

1167.37362

Exact Mass：

1167.37

Characteristics

PSA：

399

XLogP3：

2.4

Drug Information

MeSH Entry Terms：

brasilinolide A

Computed Properties

Molecular Weight:1167.4
XLogP3:2.4
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:17
Exact Mass:1166.64480399
Monoisotopic Mass:1166.64480399
Topological Polar Surface Area:399
Heavy Atom Count:81
Complexity:1940
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:22
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes