[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate
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![[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6ade1b3dce9248338f9b2542145f4c4c.png "[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate")
[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate
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CAS No:
71595-47-6
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Formula:
C24H32O8S
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Chemical Name:
[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate
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Synonyms:
Marinobufagin 3-sulfate;71595-47-6;DTXSID30221827;Bufa-20,22-dienolide, 14,15-epoxy-5-hydroxy-3-(sulfooxy)-, (3beta,5beta,15beta)-;3beta-(Sulfooxy)-5beta-hydroxy-14beta,15beta-epoxybufa-20,22-dienolide
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CAS No:
[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] hydrogen sulfate Basic Attributes
480.6 g/mol
480.18178915 g/mol
DTXSID30221827
Computed Properties
Molecular Weight:480.6
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:480.18178915
Monoisotopic Mass:480.18178915
Topological Polar Surface Area:131
Heavy Atom Count:33
Complexity:1060
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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