New Techniques of Structure Elucidation for Sesquiterpenes
285
Table 2
ECD analysis of sesquiterpenes using time-dependent DFT
Compound
Source
Level of theory
Ref.
Peribysin O (174)
Periconia macrospinosa
BHLYP/def2-TZVP
[82]
Peribysin Q (175)
Periconia macrospinosa
BHLYP/def2-TZVP
[82]
Canin (176)
Artemisia argyi
B3LYP/6-31G(d,p)
[83]
(–)-seco-Tanapartholide B (177)
Artemisia argyi
B3LYP/6-31G(d,p)
[83]
(+)-seco-Tanapartholide A (178)
Artemisia argyi
B3LYP/6-31G(d,p)
[83]
Curcujinone A (179)
Curcuma wenyujin
B3LYP/6-311++G(d,p)
[84]
Curcujinone B (180)
Curcuma wenyujin
B3LYP/6-311++G(d,p)
[84]
1β,10β-Epoxydesacetoxymatricarin (181)
Carthamus oxycantha
B3LYP/TZVP
[85]
Abiesesquine A (182)
Abies holophylla
B3LYP/6-31G(d,p)
[86]
Illihenazulene A (183)
Illicium henryi
B3LYP/6-31+G(d)
[87]
Germacranolide 184
Tanacetum sonbolii
B3LYP/6-31G(d,p)
[88]
Trichothecrotocin A (185)
Trichothecium crotocinigenum
mPW1PW91/6-311G(d)
[89]
Hydroperoxyguaienone 186
Artemisia annua
B3LYP/6-31G(d)
[90]
Artepestrin A (187)
Artemisia rupestris
B3LYP/6-31+G(d)
[91]
Artepestrin B (188)
Artemisia rupestris
B3LYP/6-31+G(d)
[91]
Artepestrin D (189)
Artemisia rupestris
B3LYP/6-31+G(d)
[91]
Artepestrin F (190)
Artemisia rupestris
B3LYP/6-31+G(d)
[91]
Elescabertopin A (191)
Elephantopus scaber
B3LYP/6-31+G(d)
[92]
Elescabertopin A (192)
Elephantopus scaber
B3LYP/6-31+G(d)
[92]
8β-Hydroxyeremophilanolide (193)
Petasites hybridus
B3LYP/6-31G(d)
[93]
8βH-Emophilanolide (194)
Petasites hybridus
B3LYP/6-31G(d)
[93]
(continued)