RELATIVE STABILITY OF CRYPTOLEPINONE AND HYDROXYCRYPTOLEPINE

摘要

The relative stability between cryptolepinone and 11-hydroxycryptolepine in solvents has been investigated by use of semiempirical molecular orbital and hybrid-density functional methods. The results have predicted that only cryptolepinone exists in all solvents examined (pyridine, acetone, MeOH, MeCN and DMSO), disagreeing with the experimental findings in which in MeOH and MeCN both cryptolepinone and 11-hydroxycryptolep are present. This disagreement suggests that MeOH and MeCN solutions include chemical species other than 11-hydroxycryptolepin.