Uncommon Polyoxygenated
Sesquiterpenoids from South
China Sea Soft Coral Lemnalia flava
Qihao Wu
Fei Ye
Xiao-Lu Li
Lin-Fu Liang
Jiadong Sun
Han Sun
Yue-Wei Guo
Hong Wang
10.1021/acs.joc.8b02912.s003
https://acs.figshare.com/articles/dataset/Uncommon_Polyoxygenated_Sesquiterpenoids_from_South_China_Sea_Soft_Coral_Lemnalia_flava/7792226
A detailed
chemical investigation of the Chinese soft coral Lemnalia
flava yielded four new nardosinane-type
sesquiterpenoids (<b>1</b>–<b>4</b>), one new neolemnane-type
sesquiterpenoid (<b>5</b>), and one new sesquiterpenoid with
an uncommon 6/9 fused bicyclic skeleton (<b>6</b>), together
with two known related compounds (<b>7</b> and <b>8</b>). The structures and absolute configurations of <b>1</b>–<b>8</b> were determined on the basis of extensive spectroscopic
data analyses, X-ray diffraction analysis, chemical reactions, and
computer-assisted structural elucidation including <sup>13</sup>C
NMR data calculation, residual dipolar coupling based NMR analysis,
and time-dependent density functional theoryelectronic circular dichroism
calculation. Plausible biogenetic pathways of two uncommon sesquiterpenoids
(<b>4</b> and <b>6</b>) were proposed.
2019-02-14 00:00:00
13 C NMR data calculation
South China Sea
Lemnalia flava
chemical investigation
Coral Lemnalia flava
neolemnane-type sesquiterpenoid
time-dependent density
nardosinane-type sesquiterpenoids
X-ray diffraction analysis
spectroscopic data analyses
Plausible biogenetic pathways
chemical reactions
NMR analysis
Uncommon Polyoxygenated Sesquiterpenoids
dichroism calculation
bicyclic skeleton