CAS
53862-36-5 Purity
96%
53862-36-5 Purity
96%
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Roxolonium metilsulfate
CAS
53862-80-9
Catalog Number
ACM53862809
Category
Other Products
Molecular Weight
693.981
Molecular Formula
C37H60NO4.CH3O4S
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Specification
Synonyms
Roxoloni metilsulfas, Roxolonium metilsulfate, Metilsulfate de roxolonium, Metilsulfato de rozolonio, Roxolonium metilsulfate [INN], CID3085048, 2-((3beta-Hydroxy-11,30-dioxo-12-oleanen-30-yl)oxymethyl)-1,1-dimethylpyrrolidinium methylsulfat, 53862-80-9
IUPAC Name
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate; methyl sulfate
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OCC6CCC[N+]6(C)C)C)C)C)C.COS(=O)(=O)[O-]
InChI Key
OFXFYMRNHDKBQX-WKUMGRCGSA-M
Exact Mass
693.42700
H-Bond Acceptor
8
H-Bond Donor
1
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