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. Author manuscript; available in PMC: 2015 Jan 1.
Published in final edited form as: RSC Adv. 2014 Apr 17;4(35):18329–18335. doi: 10.1039/C4RA00274A

Table 1.

NMR Data (400 MHz, MeOH-d4) of Compounds 1 and 2.

1 2

position δH, mult. (J in Hz) δC, type HMBCa δH, mult. (J in Hz) δC, type HMBCa
2 167.0, C 161.8, C
3 6.28, s 112.0, CH 2, 4, 4a, 5, 1′ 6.21, s 107.3, CH 2, 4, 4a, 5, 1′
4 179.4, C 177.6, Cc
4a 114.9, C 112.9, C
5 136.8, C 138.5, Cc
6 7.20, d (2.3) 103.3, CH 4a, 8, 5-COOH 7.13, d (2.3) 100.8, CH 4a, 8, 5-COOH
7 165.4, C 163.4, C
8 7.22, d (2.3) 116.8, CH 4a, 6, 7, 8a 7.20, d (2.3) 114.0, CH 4a, 7, 8a
8a 160.6, C 157.9, C
1′a 2.88, dd (4.1, 14.7) 043.3, CH2 2, 3, 2′, 3′ 6.33, dd (1.4, 15.6) 121.5, CH 2, 3′
1′b 2.70, dd (9.2, 14.7) 2, 3, 2′, 3′
2′ 4.06, m 070.0, CH 6.98, dt (7.3, 15.6) 141.8, CH 2, 3′, 4′
3′ 1.56, mb 040.8, CH2 1′, 2′, 4′, 5′ 2.31, ddt (1.4, 7.3, 7.3) 034.0, CH2 1′, 2′, 4′, 5′
4′ 1.56, mb / 1.45, m 020.1, CH2 2′, 3′, 5′ 1.58, sextet (7.3) 020.9, CH2 2′, 3′, 5′
5′ 0.98, t (6.9) 014.5, CH3 3′, 4′ 1.00, t (7.3) 012.1, CH3 3′, 4′
7-OCH3 3.96, s 057.1, CH3 7 3.95, s 054.9, CH3 7
5-COOH 171.9, C 171.5, Cc
a

HMBC correlations are from the proton(s) listed to the indicated carbons.

b

Overlapping signals

c

The quaternary 13C signals for C-4, C-5, and 5-COOH were very weak, and their δC values were corroborated by HMBC data.