. Author manuscript; available in PMC: 2019 Jan 19.

Published in final edited form as: J Org Chem. 2018 Jan 3;83(2):881–897. doi: 10.1021/acs.joc.7b02891

Table 2.

³J_H5,H6_R and ³J_H5,H6_S Coupling constants for gt conformers

Entry	Cmpd (bond)^a	Config	Ring fusion	C6 Subst	Correction (Hz)^b	Experimental and (corrected) ³J_H5,H6 values (Hz)			Comment^c
Entry	Cmpd (bond)^a	Config	Ring fusion	C6 Subst	Correction (Hz)^b	C₆D₆	CDCl₃	CD₃OD	Comment^c
H⁵,H⁶^R
1	12	galacto	trans	CH	+2.0	9.2 (11.2)	9.2 (11.2)	9.2 (11.2)	include
2	18	gluco	trans	CH	+2.0	9.2 (11.2)	9.0 (11.0)	9.2 (11.2)	include
3	5 (C1,C2)	-	-	CH₂	na	10.7^d			include
4	8	gluco	-	CH₂		9.5			exclude
H⁵,H⁶^S
5	11	galacto	cis	CH	−0.5	3.2 (2.7)	3.2 (2.7)	3.1 (2.6)	include
6	17	gluco	cis	CH	−0.5	3.0 (2.5)	3.1 (2.6)	3.1 (2.6)	include
7	5 (C1,C2)	-	-	CH₂	na	2.5^d			include
8	8	gluco		CH₂	na	1.5			exclude

Unless otherwise stated the C5–C6 bond is considered.

Correction factor for the presence of the additional CC bond per Table 5 and text.

Compounds are either excluded or included from further consideration as valid models as discussed in the text.

Measured in D₂O