Spektraris NMR
23-Hydroxy-3beta-[4-O-(3-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranosyloxy]lupa-20(29)-ene-28-oic acid
![23-Hydroxy-3beta-[4-O-(3-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranosyloxy]lupa-20(29)-ene-28-oic acid](/nmr/static/nmr/svg/19751.svg)
Common Name: 23-Hydroxy-3beta-[4-O-(3-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranosyloxy]lupa-20(29)-ene-28-oic acid
Synonyms: 23-Hydroxy-3beta-[4-O-(3-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranosyloxy]lupa-20(29)-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-39-35(54)33(52)26(19-59-39)62-41-37(56)38(31(50)22(3)60-41)64-40-36(55)34(53)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,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=BCCPKWUVOVPSJJ-YQQKWVQMSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
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) | 39.5 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 81.5 |
| 4 (C) | 43.8 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.3 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 38.8 |
| 14 (C) | 43 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 33.2 |
| 17 (C) | 56.9 |
| 18 (CH) | 50 |
| 19 (CH) | 48 |
| 20 (C) | 151.6 |
| 21 (CH2) | 31.5 |
| 22 (CH2) | 37.9 |
| 23 (CH2) | 64.2 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 15.1 |
| 28 (C) | 180 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.6 |
| 1' (CH) | 105 |
| 2' (CH) | 75.8 |
| 3' (CH) | 75.1 |
| 4' (CH) | 69.9 |
| 5' (CH2) | 66.4 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 71.8 |
| 3'' (CH) | 83.2 |
| 4'' (CH) | 73.1 |
| 5'' (CH) | 69.8 |
| 6'' (CH3) | 18.6 |
| 1''' (CH) | 106.9 |
| 2''' (CH) | 76 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 71.9 |
| 5''' (CH) | 78.7 |
| 6''' (CH2) | 62.7 |
