[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate
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![[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/caa55373836d47d0aad0aae4efd8e9ae.png "[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate")
[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate
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CAS No:
96623-01-7
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Formula:
C20H14O8S
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Chemical Name:
[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate
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Synonyms:
halenaquinol sulfate;Halenaquinol sulfate;CHEMBL1207919;BDBM50323932;99528-87-7
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CAS No:
[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate Basic Attributes
414.4 g/mol
414.04093857 g/mol
Computed Properties
Molecular Weight:437.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:437.03070786
Monoisotopic Mass:437.03070786
Topological Polar Surface Area:140
Heavy Atom Count:30
Formal Charge:1
Complexity:834
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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