File S1 - Crystal Structure Elucidation and Anticancer Studies of (-)-Pseudosemiglabrin: A Flavanone Isolated from the Aerial Parts of Tephrosia apollinea

NMR Spectral and crystal data of (-)-pseudosemiglabrin. Figure S1 depicts the 13C DEPT135 NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature (125.7 MHz). Figure S2 shows the 13C DEPT145 NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature (125.7 MHz). Figure S3 illustrates the 2D HSQC (Heteronuclear single quantum coherence spectroscopy) NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature. Figure S4 shows 2D HMBC (heteronuclear multiple-bond correlation spectroscopy) NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature. Figure S5 depicts the 2D TOCSY (total correlation spectroscopy) NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature. Figure S6 shows the 2D COSY (correlation spectroscopy) NMR spectrum of (-)-pseudosemiglabrin collected in CDCl3 at ambient temperature. Figure S7 illustrates the crystal packing of (-)-Pseudosemiglabrin. The molecules packed in orthorhombic crystal system through intermolecular hydrogen bonds (C = O---H), shown as dashed lines. Table S1 describes the selected Bond Lengths (Å) and Angles (o) of (-)-Pseudosemiglabrin (Crystal Structure Unit A). Table S2 describes the selected Bond Lengths (Å) and Angles (o) of (-)-Pseudosemiglabrin (Crystal Structure Unit B). (PDF)