In:
European Journal of Organic Chemistry, Wiley, Vol. 2009, No. 23 ( 2009-08), p. 3987-3991
Abstract:
The configuration of concentricolide was assigned as ( S ). The configuration of its three analogs, which have anti‐HIV‐1 activity, were predicted by optical rotation values obtained by the B3LYP/aug‐cc‐pVDZ//B3LYP/6‐31+G(d) and B3LYP/aug‐cc‐pVDZ//MP2/6‐311+G(d) methods. The two methods predict very close optical rotation magnitudes for all three chiral analogs of concentricolide . The two methods were applied in optical rotation predictions for seven other concentricolide analogs. Circular dichroism calculations were performed for four of the seven analogs at the B3LYP/aug‐cc‐pVDZ level.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Type of Medium:
Online Resource
ISSN:
1434-193X
,
1099-0690
DOI:
10.1002/ejoc.v2009:23
DOI:
10.1002/ejoc.200900422
Language:
English
Publisher:
Wiley
Publication Date:
2009
detail.hit.zdb_id:
1475010-7
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