11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate
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![11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/97561536ad0a41d2994bd85baebbcc78.png "11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate")
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate
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CAS No:
90931-00-3
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Formula:
C41H50O18
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Chemical Name:
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate
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Synonyms:
8H-6,11b-Epoxy-4b,8:7a,10-dimethano-1H-2-benzopyrano[5,6-d][1,3]benzodioxepin-11-acetic acid,9,12,13,16-tetrakis(acetyloxy)-1-(3-furanyl)decahydro-8-hydroxy-4-(1-hydroxy-2-methylpropylidene)-6,10,11a,13a-tetramethyl-3-oxo-,methyl ester,(1S,4Z,4aS,4bR,6R,7aR,8S,9S,10R,11S,11aR,11bR,12R,13R,13aR,16R)-;Phragmalin,11,12-bis(acetyloxy)-15-(1-hydroxy-2-methylpropylidene)-,3,30-diacetate,(11α,12α,15Z)-;(-)-Bussein H;Bussein H
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CAS No:
11α,12α-Bis(acetyloxy)-15-[(Z)-1-hydroxy-2-methylpropylidene]phragmalin 3,30-diacetate Basic Attributes
830.8249
830.82
Computed Properties
Molecular Weight:830.8
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:13
Exact Mass:830.29971474
Monoisotopic Mass:830.29971474
Topological Polar Surface Area:239
Heavy Atom Count:59
Complexity:1960
Defined Atom Stereocenter Count:15
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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