Quantumchemical calculation of CD spectra: The absolute configuration of palmarumycins CP3 and C-2

被引：32

作者：

Bringmann, G ^{[1
]}

Busemann, S ^{[1
]}

Krohn, K ^{[1
]}

Beckmann, K ^{[1
]}

机构：

[1] UNIV GESAMTHSCH PADERBORN,FACHBEREICH CHEM & CHEM TECH,D-33098 PADERBORN,GERMANY

来源：

TETRAHEDRON | 1997年 / 53卷 / 05期

关键词：

D O I：

10.1016/S0040-4020(96)01117-9

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The quantumchemical calculation of the CD spectra of two representatives of palmarumycins, biologically active compounds from Coniothyrium species, is described, allowing, for the first time, the elucidation of the absolute configuration of two representatives of this class of compounds without the use of empirical rules or reference material. (C) 1997, Elsevier Science Ltd.

引用

页码：1655 / 1664

页数：10

共 23 条

[1] CIRCULAR-DICHROISM OF MICHELLAMINES - INDEPENDENT ASSIGNMENT OF AXIAL CHIRALITY BY CALCULATED AND EXPERIMENTAL CD-SPECTRA
BRINGMANN, G
GULDEN, KP
HALLOCK, YF
MANFREDI, KP
CARDELLINA, JH
BOYD, MR
KRAMER, B
FLEISCHHAUER, J
[J]. TETRAHEDRON, 1994, 50 (26) : 7807 - 7814
[2] CIRCULAR-DICHROISM OF NAPHTHYLTETRAHYDROISOQUINOLINE ALKALOIDS - CALCULATION OF CD SPECTRA BY SEMIEMPIRICAL METHODS
BRINGMANN, G
GULDEN, KP
BUSSE, H
FLEISCHHAUER, J
KRAMER, B
ZOBEL, E
[J]. TETRAHEDRON, 1993, 49 (16) : 3305 - 3312
[3] BISMURRAYAQUINONE-A - SYNTHESIS, CHROMATOGRAPHIC ENANTIOMER RESOLUTION, AND STEREOANALYSIS BY COMPUTATIONAL AND EXPERIMENTAL CD INVESTIGATIONS
BRINGMANN, G
LEDERMANN, A
STAHL, M
GULDEN, KP
[J]. TETRAHEDRON, 1995, 51 (34) : 9353 - 9360
[4] SYNTHESIS AND ABSOLUTE STEREOSTRUCTURE OF DINAPHTH[2,1-C1',2'-E]OXEPIN-3-(5H)-ONE
BRINGMANN, G
HARTUNG, T
KROCHER, O
GULDEN, KP
LANGE, J
BURZLAFF, H
[J]. TETRAHEDRON, 1994, 50 (09) : 2831 - 2840
[5] Cambridge Crystallographic Data Centre, 1989, [No title captured], Patent No. [01294686, 1294686]
[6] STRUCTURE OF SCH-49209 - A NOVEL ANTITUMOR AGENT FROM THE FUNGUS NATTRASSIA-MANGIFERAE
CHU, M
TRUUMEES, I
PATEL, MG
GULLO, VP
PUAR, MS
MCPHAIL, AT
[J]. JOURNAL OF ORGANIC CHEMISTRY, 1994, 59 (05) : 1222 - 1223
[7] A NOVEL CLASS OF ANTITUMOR METABOLITES FROM THE FUNGUS NATTRASSIA-MANGIFERAE
CHU, M
TRUUMEES, I
PATEL, MG
GULLO, VP
BLOOD, C
KING, I
PAI, JK
PUAR, MS
[J]. TETRAHEDRON LETTERS, 1994, 35 (09) : 1343 - 1346
[8] DELBENE J, 1968, J CHEM PHYS, V48, P1807
[9] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL
DEWAR, MJS
ZOEBISCH, EG
HEALY, EF
STEWART, JJP
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) : 3902 - 3909
[10] DOWNING JW, PROGRAMM PACKAGE BDZ

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