Dihydro-alpha-ergocryptine mesylate(aq)
Cannot estimate ΔfG' with any level of certainty
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General Properties
Formula C32H43N5O5.CH4O3S
Common names Dihydro-alpha-ergocryptine mesylate; 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; C13167
Molar Mass 673.31 [Da]
Structure
Links KEGG »
Species Formation Energies
Phase Net charge #Hydrogens Δf [kJ/mol] ΔfG'° [kJ/mol] Reference
aqueous -1 42 -286.6 1415.7 Component Contribution (2013)
aqueous 0 43 -342.2 1401.3
aqueous 1 44 -391.7 1391.7
aqueous 2 45 -419.4 1402.8