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11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)
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![11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4668209f55a74e10b4ef82b06d578603.png "11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)")
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)
structure -
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CAS No:
90930-95-3
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Formula:
C43H54O18
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Chemical Name:
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)
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Synonyms:
Bussein C
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CAS No:
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate) Basic Attributes
858.87806
858.331
Computed Properties
Molecular Weight:858.9
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:15
Exact Mass:858.33101487
Monoisotopic Mass:858.33101487
Topological Polar Surface Area:239
Heavy Atom Count:61
Complexity:2000
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxypropylidene]phragmalin30-acetate3-(2-methylbutyrate)
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