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Calculation‐Assisted Stereochemical Analysis of Securingine A
Author(s) -
Kang Gyumin,
Baik MuHyun,
Han Sunkyu
Publication year - 2021
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.12151
Subject(s) - diastereomer , chemistry , stereochemistry , ring (chemistry) , chemical shift , two dimensional nuclear magnetic resonance spectroscopy , organic chemistry
Presented here is a plausible structural candidate of securingine A that was not considered thus far. The newly proposed structure of securingine A is consistent with experimental NOESY data. DP4+ probability analysis of computed 1 H and 13 C chemical shifts corroborates the viability of our newly proposed structure. We propose a biosynthetic scenario that interrelates the newly suggested structure of securingine A and securingine B.
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