3-O-[b-D-Glucopyranosyl-(1--> 2)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl]-betulinic acid

3-O-[b-D-Glucopyranosyl-(1--> 2)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl]-betulinic acid

Common Name: 3-O-[b-D-Glucopyranosyl-(1--> 2)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl]-betulinic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H76O19/c1-20(2)21-10-15-48(43(61)67-41-36(58)32(54)30(52)24(19-50)63-41)17-16-46(6)22(28(21)48)8-9-26-45(5)13-12-27(44(3,4)25(45)11-14-47(26,46)7)64-42-38(34(56)33(55)37(65-42)39(59)60)66-40-35(57)31(53)29(51)23(18-49)62-40/h21-38,40-42,49-58H,1,8-19H2,2-7H3,(H,59,60)/t21-,22+,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,40-,41-,42+,45-,46+,47+,48-/m0/s1

InChIKey: InChIKey=TUJWKSZYJZQHGQ-UPDQMDQZSA-N

Formula: C48H76O19

Molecular Weight: 957.107514

Exact Mass: 956.49808

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Tapondjou, A.L., Miyamoto, T., Lacaille-Dubois, M.A. Phytochemistry (2006) 67, 2126-32

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) 38.9
2 (CH2) 25.6
3 (CH) 89.6
4 (C) 41.5
5 (CH) 55.3
6 (CH2) 17.9
7 (CH2) 34.1
8 (C) 40.6
9 (CH) 50.2
10 (C) 39.2
11 (CH2) 20.6
12 (CH2) 23.3
13 (CH) 37.9
14 (C) 42.2
15 (CH2) 30.4
16 (CH2) 31.7
17 (C) 56.6
18 (CH) 47
19 (CH) 49
20 (C) 150.5
21 (CH2) 30.3
22 (CH2) 36.7
23 (CH3) 27.4
24 (CH3) 14.5
25 (CH3) 15.8
26 (CH3) 16
27 (CH3) 15.9
28 (C) 175.2
29 (CH2) 109.6
30 (CH3) 19
1' (CH) 104.2
2' (CH) 80.4
3' (CH) 77.3
4' (CH) 71.1
5' (CH) 77.6
6' (C) 170
1'' (CH) 104.1
2'' (CH) 75.7
3'' (CH) 77
4'' (CH) 72.7
5'' (CH) 76.9
6'' (CH2) 61.4
1''' (CH) 94.7
2''' (CH) 73.6
3''' (CH) 77.6
4''' (CH) 70.3
5''' (CH) 78.5
6''' (CH2) 62.1