Spektraris NMR
3-O-[b-D-Galactopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl-(1-->4)-b-D-glucopyranosyl]-oleanolic acid
![3-O-[b-D-Galactopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl-(1-->4)-b-D-glucopyranosyl]-oleanolic acid](/nmr/static/nmr/svg/19773.svg)
Common Name: 3-O-[b-D-Galactopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-glucopyranosyl-(1-->4)-b-D-glucopyranosyl]-oleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(65)35(62)32(59)26(74-46)21-71-44-36(63)33(60)30(57)24(19-55)72-44)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)75-47-40(67)41(39(66)42(77-47)43(68)69)76-45-37(64)34(61)31(58)25(20-56)73-45/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=SUYZNXAFBJSHNO-BOKZEPGZSA-N
Formula: C54H86O24
Molecular Weight: 1119.248362
Exact Mass: 1118.550904
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 : Oleananes; 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 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 90.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 31.9 |
| 8 (C) | 39 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.3 |
| 11 (CH2) | 23 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.6 |
| 14 (C) | 41.6 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 23.2 |
| 17 (C) | 46.6 |
| 18 (CH) | 41.2 |
| 19 (CH2) | 45.8 |
| 20 (C) | 30.2 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 27.3 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 14.9 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.6 |
| 28 (C) | 176.5 |
| 29 (CH3) | 23.2 |
| 30 (CH3) | 32.7 |
| 1' (CH) | 104.1 |
| 2' (CH) | 74 |
| 3' (CH) | 85.4 |
| 4' (CH) | 70.2 |
| 5' (CH) | 77.3 |
| 6' (C) | 173.2 |
| 1'' (CH) | 103.6 |
| 2'' (CH) | 72 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 61.6 |
| 1''' (CH) | 95 |
| 2''' (CH) | 73 |
| 3''' (CH) | 77.5 |
| 4''' (CH) | 77.5 |
| 5''' (CH) | 78.2 |
| 6''' (CH2) | 61.4 |
| 1'''' (CH) | 102.3 |
| 2'''' (CH) | 75.3 |
| 3'''' (CH) | 77.3 |
| 4'''' (CH) | 71.5 |
| 5'''' (CH) | 77.5 |
| 6'''' (CH2) | 62.5 |
