Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
9
pubmed:dateCreated
1999-12-21
pubmed:abstractText
Theoretical calculation of circular dichroic exciton-coupled spectra of ouabain 1,19,2',3',4'-pentanaphthoate and its analogs was executed by a combination of conformational analysis with molecular mechanics and quantum-chemical calculation. Most of the calculated CD spectra show good agreement with the corresponding experimental data, which suggests that the method may be generalized for applications to other conformationally flexible natural products. The CD calculation was then used to evaluate the plausibility of "fortuitous CD cancellation," which was observed in the microscale naphthoylation study of hypothalamic inhibitory factor, a presumed ouabain isomer from bovine hypothalamus.
pubmed:grant
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:issn
0899-0042
pubmed:author
pubmed:copyrightInfo
Copyright 1999 Wiley-Liss, Inc.
pubmed:issnType
Print
pubmed:volume
11
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
707-21
pubmed:dateRevised
2007-11-14
pubmed:meshHeading
pubmed:year
1999
pubmed:articleTitle
Theoretical and experimental CD of conformationally flexible complex molecules-application to ouabain pentanaphthoate and analogs.
pubmed:affiliation
Department of Chemistry, Columbia University, New York, New York 10027, USA.
pubmed:publicationType
Journal Article, Research Support, U.S. Gov't, P.H.S.