3β-[(O-β-D-glucopyranosyl-(1-3)-O-R-L-rhamnopyranosyl-(1-2)-R-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid

3β-[(O-β-D-glucopyranosyl-(1-3)-O-R-L-rhamnopyranosyl-(1-2)-R-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid

Common Name: 3β-[(O-β-D-glucopyranosyl-(1-3)-O-R-L-rhamnopyranosyl-(1-2)-R-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-39-35(53)33(51)26(20-58-39)61-41-37(55)38(31(49)22(3)59-41)63-40-36(54)34(52)32(50)25(19-48)60-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1

InChIKey: InChIKey=NNCWDOGWCACXTJ-WTFDRUHWSA-N

Formula: C47H76O16

Molecular Weight: 897.098563

Exact Mass: 896.513336

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Bang, S.C., Kim, Y., Lee, J.H., Ahn, B.Z. J Nat Prod (2005) 68, 268-72

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 39.6
2 (CH2) 27.2
3 (CH) 89.3
4 (C) 40.1
5 (CH) 48.2
6 (CH2) 18.9
7 (CH2) 35.2
8 (C) 41.5
9 (CH) 51.3
10 (C) 37.6
11 (CH2) 21.7
12 (CH2) 26.5
13 (CH) 38.9
14 (C) 43.3
15 (CH2) 30.4
16 (CH2) 33.3
17 (C) 56.5
18 (CH) 50.2
19 (CH) 48.2
20 (C) 151
21 (CH2) 31.5
22 (CH2) 38.2
23 (CH3) 28.5
24 (CH3) 17.3
25 (CH3) 16.8
26 (CH3) 16.8
27 (CH3) 15.3
28 (C) 180
29 (CH2) 110.1
30 (CH3) 19.9
1' (CH) 105.7
2' (CH) 76.2
3' (CH) 75
4' (CH) 70.2
5' (CH2) 66.2
1'' (CH) 102.1
2'' (CH) 71.8
3'' (CH) 83.8
4'' (CH) 73.4
5'' (CH) 69.8
6'' (CH3) 18.9
1''' (CH) 107.2
2''' (CH) 76.3
3''' (CH) 78.9
4''' (CH) 72.1
5''' (CH) 79
6''' (CH2) 62.9