Spektraris NMR
3beta-(2-O-alpha-L-Rhamnopyranosyl-4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
Common Name: 3beta-(2-O-alpha-L-Rhamnopyranosyl-4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
Synonyms: 3beta-(2-O-alpha-L-Rhamnopyranosyl-4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyloxy)lupa-20(29)-ene-28-oic acid
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)62-41-38(63-39-36(54)34(52)31(49)22(3)59-39)33(51)26(20-58-41)61-40-37(55)35(53)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=WOOPUJXMROOOPP-KSYIBZFCSA-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) | 39.3 |
| 2 (CH2) | 27 |
| 3 (CH) | 89 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34.9 |
| 8 (C) | 41.3 |
| 9 (CH) | 51 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 38.7 |
| 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 (CH3) | 28.1 |
| 24 (CH3) | 17 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 15 |
| 28 (C) | 180 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.7 |
| 1' (CH) | 105.1 |
| 2' (CH) | 76.7 |
| 3' (CH) | 74 |
| 4' (CH) | 79.6 |
| 5' (CH2) | 64.5 |
| 1'' (CH) | 102 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 106.5 |
| 2''' (CH) | 75.6 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.9 |
| 6''' (CH2) | 62.7 |
