3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-Dglucopyranosyl-(1f3)]-R-L-arabinopyranosyljujubogenin

3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-Dglucopyranosyl-(1f3)]-R-L-arabinopyranosyljujubogenin

Common Name: 3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-Dglucopyranosyl-(1f3)]-R-L-arabinopyranosyljujubogenin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C47H76O20S/c1-21(2)15-23-16-45(8,55)38-24-9-10-28-43(6)13-12-29(42(4,5)27(43)11-14-44(28,7)46(24)19-47(38,66-23)60-20-46)63-41-37(65-39-33(53)32(52)30(50)22(3)61-39)35(25(49)18-59-41)64-40-34(54)36(67-68(56,57)58)31(51)26(17-48)62-40/h15,22-41,48-55H,9-14,16-20H2,1-8H3,(H,56,57,58)/t22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1

InChIKey: InChIKey=AROVDOWVRYAMAU-SNZVVVKYSA-N

Formula: C47H76O20S1

Molecular Weight: 993.162268

Exact Mass: 992.465066

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Maciuk, A., Lavaud, C., Thepenier, P., Jacquier, M.J., Ghedira, K., Zeches-Hanrot, M. J Nat Prod (2004) 67, 1639-43

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 38.5
2 (CH2) 25.9
3 (CH) 88.1
4 (C) 39.1
5 (CH) 56
6 (CH2) 17.6
7 (CH2) 35.4
8 (C) 36.8
9 (CH) 52.7
10 (C) 37
11 (CH2) 21.1
12 (CH2) 27.7
13 (CH) 36.6
14 (C) 53.2
15 (CH2) 35.7
16 (C) 109.9
17 (CH) 52.9
18 (CH2) 65.4
19 (CH3) 15.6
20 (C) 68
21 (CH3) 27
22 (CH2) 43.9
23 (CH) 68.2
24 (CH) 124.8
25 (C) 135.3
26 (CH3) 24.3
27 (CH3) 16.9
28 (CH3) 28.1
29 (CH3) 15.4
30 (CH3) 17.7
1' (CH) 103.9
2' (CH) 73.8
3' (CH) 81.3
4' (CH) 67.3
5' (CH2) 63.6
1'' (CH) 100.6
2'' (CH) 70.6
3'' (CH) 70.6
4'' (CH) 72.3
5'' (CH) 68.7
6'' (CH3) 16.5
1''' (CH) 102.7
2''' (CH) 73.5
3''' (CH) 75.1
4''' (CH) 75.8
5''' (CH) 74.8
6''' (CH2) 60.6