Koryoginsenoside-R2

Latest revision as of 13:07, 16 February 2010

Upper classes

Koryoginsenoside R2

Structural Information
Systematic Name	(3beta,12beta,22E)-20-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)-12,25-dihydroxydammar-22-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Common Name	Koryoginsenoside R2
Symbol
Formula	C54H92O24
Exact Mass	1124.597853872
Average Mass	1125.29388
SMILES	`O(C1OC(C8(C)C)CCC(C78)(C(C(C)(CC7)3)CC(C(C(C(C)(OC(O5)C(O)C(C(O)C(COC(O6)C(C(C(C6CO)O)O)O)5)O)C=CCC(C)(C)O)4)C3(CC4)C)O)C)C(C(C(C(OC(O2)C(C(C(O)C(CO)2)O)O)1)O)O)CO`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

M.P.	177 - 180 °C
¹H-NMR (C₅D₅N, 400 MHz)	0.83 (s, 3xH-30), 0.88 (s, 3xH-19), 1.02 (s, 3xH-18), 1.09 (s, 3xH-29), 1.27 (s, 3xH-28), 1.58 (s, 3xH-27), 1.62 (s, 3xH-26), 1.63 (s, 3xH-21), 2.87 (dd, J=13.2, 5.8 Hz, H-22alpha), 3.09 (dd, J=12.5, 4.7 Hz, H-22beta), 3.25 (dd, J=11.5, 4.2 Hz, H-3), 4.02 (dd, J=10.7, 8.2 Hz, H-12), 4.90 (d, J=7.6 Hz, H-1 of Glc II), 5.09 (d, J=7.5 Hz, H-1 of Glc III), 5.17 (d, J=7.8 Hz, H-1 of Glc IV), 5.37 (d, J=7.8 Hz, H-1 of Glc I), 6.12 (d, J=15.6 Hz, H-24), 6.15 (ddd, J=15.6, 8.5 Hz, H-23)
¹³C-NMR (C₅D₅N, 100 MHz)	C-1) 39.3, (2) 26.8, (3) 89.2, (4) 40.2, (5) 56.6, (6) 18.6, (7) 35.2, (8) 40.2, (9) 50.3, (10) 37.1, (11) 31.0, (12) 70.6, (13) 49.7, (14) 51.6, (15) 30.7, (16) 26.4, (17) 52.2, (18) 16.3, (19) 16.1, (20) 83.5, (21) 23.5, (22) 138.2, (23) 126.7, (24) 39.8, (25) 81.4, (26) 25.5, (27) 25.2, (28) 28.2, (29) 16.7, (30) 17.3 Glc I (1) 105.0, (2) 83.3, (3) 78.3, (4) 71.8, (5) 78.4, (6) 63.0 Glc II (1) 106.0, (2) 77.1, (3) 78.8, (4) 71.9, (5) 78.4, (6) 63.0 Glc III (1) 98.2, (2) 75.3, (3) 78.0, (4) 71.9, (5) 77.1, (6) 70.1 Glc IV (1) 105.1, (2) 75.3, (3) 78.3, (4) 71.9, (5) 78.4, (6) 63.0

C.-R. Yang et al., Phytochemistry, 40, 4193 (1995).