Home / Publications / Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data

Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data

Ivan M Novitskiy 1
Ivan M Novitskiy
, 
Tina A Holt 1
Tina A Holt
, 
Andrei G Kutateladze 1
Andrei G Kutateladze
10.1016/j.mencom.2021.04.007
Published 2021-04-28
Communication , Volume 31, Issue 3, 300-301
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Novitskiy I. M., Holt T. A., Kutateladze A. G. Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data // Mendeleev Communications. 2021. Vol. 31. No. 3. pp. 300-301.
GOST all authors (up to 50) Copy
Novitskiy I. M., Holt T. A., Kutateladze A. G. Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data // Mendeleev Communications. 2021. Vol. 31. No. 3. pp. 300-301.
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TY - JOUR
DO - 10.1016/j.mencom.2021.04.007
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.04.007
TI - Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data
T2 - Mendeleev Communications
AU - Novitskiy, Ivan M
AU - Holt, Tina A
AU - Kutateladze, Andrei G
PY - 2021
DA - 2021/04/28
PB - Mendeleev Communications
SP - 300-301
IS - 3
VL - 31
ER -
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@article{2021_Novitskiy,
author = {Ivan M Novitskiy and Tina A Holt and Andrei G Kutateladze},
title = {Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data},
journal = {Mendeleev Communications},
year = {2021},
volume = {31},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.04.007},
number = {3},
pages = {300--301},
doi = {10.1016/j.mencom.2021.04.007}
}
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Novitskiy, Ivan M., et al. “Structure revision of ent-kaurane diterpenoids, isoserrins A, B, and D, enabled by DU8+ computation of their NMR spectral data.” Mendeleev Communications, vol. 31, no. 3, Apr. 2021, pp. 300-301. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.04.007.

Keywords

DU8+
isoserrins
natural products
NMR calculations
structure revision

Abstract

DU8+ calculations of 13C NMR chemical shifts suggested that the structures of isoserrins A, B, and D – which were recently isolated from medicinal plant Isodon serra – are misassigned. Computationally driven structure revisions are presented in this communication.

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