Sesquiterpenoids and monoterpenoids from the water decoction of Valeriana officinalis L Author Li, Shi-Wei , Bian-Xia Xue &, Tian-Tian Yang &, Ran Li &, Mingjie Zhang &, &, Peng Zhang &, Yi Zhang &, Tao Wang &, Shao-Xia Wang & * & State Key Laboratory of Component-based Chinese Medicine, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 10 Poyanghu &, Bian-Xia Xue &, Tian-Tian Yang &, Ran Li Author Xue, Bian-Xia Author Yang, Tian-Tian Author Li, Ran Author Zhang, Mingjie Author Wang, Miao Author Zhang, Li-Hua Author Zhang, Peng Author Zhang, Yi Author Wang, Tao Author Wang, Shao-Xia Author Wu, Hong-Hua text Phytochemistry 2023 113474 2023-01-31 205 1 11 http://dx.doi.org/10.1016/j.phytochem.2022.113474 journal article 10.1016/j.phytochem.2022.113474 1873-3700 8194509

Table 2 NMR data for 4–6.

position	4 a			5 b			6 b
a Measured in CD OD; 3 b Measured in D O; 2 c Measured at 600 MHz; d Measured at 150 MHz.
	δ (J in Hz) c H	δ, type d C	HMBC	δ (J in Hz) c H	δ, type d C	HMBC	δ (J in Hz) c H	δ type d C,	HMBC
1	5.11, d (3.0)	98.5, CH	5, 8	3.55, dd (7.8, 11.4)	62.3, CH2	5, 8, 9	3.82, dd (11.4, 7.8)	61.9, CH2	5, 8, 9
				3.69, dd (11.4, 6.6)			3.77, dd (11.4, 5.4)
2	–	–	–	–	–	–	–	–	–
3	5.23, s	95.3, CH	1, 5, 11	4.09, d (13.8)	68.4, CH2	1, 5, 11	3.62, dd (11.4, 4.2)	68.9, CH2	4, 5, 11
				4.06, d (13.8)			3.34, dd (11.4, 7.7)
4	–	154.4, C	–	–	151.0, C	–	1.72, m	38.0, CH	–
5	–	78.1, C	–	3.03, q (9.0)	42.4, CH	1, 3, 4, 6, 9, 11	2.13, m	41.1, CH	3, 6, 9
6	2.41, dd (14.4, 7.8)	48.2, CH2	4, 8, 9	1.79, ddd (12.0, 8.4, 3.6)	39.2, CH2	4, 5, 7, 8, 9	1.93, m	36.5, CH2	5, 7, 8
	1.94, dd (14.4, 3.0)		–	2.20, m			1.59, m
7	4.83, m	75.9, CH	5, 9, 10	3.96, d (3.6)	82.2, CH	5, 9, 10	4.09, dd (8.4, 3.9)	81.3, CH	5, 9, 10
8	–	84.6, C	–	–	85.3, C	–	–	85.5, C	–
9	2.53, d (3.0)	46.9, CH	–	2.23, m	52.5, CH	1, 4, 6, 7, 8	2.05, m	53.2, CH	1, 7, 8
10	3.60, s	74.4, CH2	7, 8, 1′′	1.37, s	25.1, CH3	7, 8, 9	1.32, s	25.3, CH3	7, 8, 9
11	5.07, s 5.23, s	107.5, CH2	3, 4, 5	5.26, s	114.6, CH2	3, 4, 5	0.90, d (6.6)	17.5, CH3	3, 4, 5
				5.09, s
1′	3.37, s	55.4, CH3	1	–	–	–	–	–	–
1′′	3.36, s	60.0, CH3	10	–	–	–	–	–	–