Roxolonium metilsulfate

Modify Date: 2025-08-25 16:37:14

Roxolonium metilsulfate Structure
Roxolonium metilsulfate structure
Common Name Roxolonium metilsulfate
CAS Number 53862-80-9 Molecular Weight 693.97400
Density N/A Boiling Point N/A
Molecular Formula C38H63NO8S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C38H63NO8S
Molecular Weight 693.97400
Exact Mass 693.42700
PSA 138.41000
LogP 7.24260
InChIKey OFXFYMRNHDKBQX-WKUMGRCGSA-M
SMILES CC1(C(=O)OCC2CCC[N+]2(C)C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COS(=O)(=O)[O-]

 Synonyms

Roxolonium metilsulfate
Metilsulfato de rozolonio
Metilsulfate de roxolonium
Roxoloni metilsulfas
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