Uralsaponin B

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	105038-43-5
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Uralsaponin B.mol

Uralsaponin B
Structural Information
Systematic Name	(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Common Name	Uralsaponin B (+)-Uralsaponin B 30-Noroleanane beta-D-glucopyranosiduronic acid deriv.
Symbol
Formula	C42H62O16
Exact Mass	822.4037859360001
Average Mass	822.93208
SMILES	C(C7)(C)(CC(C=61)C(C)(C7)CCC1(C)C(C5)(C(C(C6)=O)C(C4C5)(CCC(C4(C)C)OC(O2)C(O)C(OC(O3)C(C(O)C(O)C(C(O)=O)3)O)C(O)C2C(O)=O)C)C)C(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Spectroscopic Data

M.P.	244 °C (decomp.)
IR (KBr	3400, 1728, 1645, 1609, 1380, 1360, 1325, 1300, 1255, 1040 cm-1
1H-NMR (DMSO-d6, 400 MHz)	0.66 (s, CH3), 0.75 (s, CH3), 0.90 (s, CH3), 1.03 (s, 2xCH3), 1.09 (s, CH3), 1.34 (s, CH3), 4.25 (d, J=6.60 Hz, anomeric H), 4.47 (d, J=7.2 Hz, anomeric H), 5.39 (s, H-12)
13C-NMR (DMSO-d6, 100 MHz)	C-2) 25.7, (3) 88.4, (4) 36.6, (11) 198.8, (12) 127.4, (13) 169.2, (30) 169.5 GlcUA I (1) 102.6, (2) 73.3, (3) 88.1, (4) 71.3, (5) 75.2, (6) 168.8 GlcUA II (1) 103.3, (2) 74.8, (3) 75.2, (4) 71.3, (5) 75.8, (6) 168.8

M.-T. Wang et al., Yaoxue Xuebao, 21, 510 (1986).