Spektraris NMR
3-O-[b-D-Glucopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-xylopyranosyl-(1-->6)-b-D-glucopyranosyl]-oleanolic acid
![3-O-[b-D-Glucopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-xylopyranosyl-(1-->6)-b-D-glucopyranosyl]-oleanolic acid](/nmr/static/nmr/svg/19772.svg)
Common Name: 3-O-[b-D-Glucopyranosyl-(1-->3)-b-D-glucuronopyranosyl]-28-O-[b-D-xylopyranosyl-(1-->6)-b-D-glucopyranosyl]-oleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(63)34(60)32(58)26(72-45)21-70-43-35(61)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-46-39(65)40(38(64)41(75-46)42(66)67)74-44-36(62)33(59)31(57)25(19-54)71-44/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,43-,44-,45-,46+,50-,51+,52+,53-/m0/s1
InChIKey: InChIKey=DSJMQKQXODRBAA-XXWXHSAUSA-N
Formula: C53H84O23
Molecular Weight: 1089.222339
Exact Mass: 1088.540339
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) | 38.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 89 |
| 4 (C) | 39.1 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.2 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.4 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 122.1 |
| 13 (C) | 144.2 |
| 14 (C) | 41.4 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 23.1 |
| 17 (C) | 46 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.4 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 32.7 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 15 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.8 |
| 28 (C) | 176.5 |
| 29 (CH3) | 23.2 |
| 30 (CH3) | 32.8 |
| 1' (CH) | 105.6 |
| 2' (CH) | 74 |
| 3' (CH) | 83.5 |
| 4' (CH) | 71.2 |
| 5' (CH) | 77.5 |
| 6' (C) | 173.2 |
| 1'' (CH) | 104.6 |
| 2'' (CH) | 74.3 |
| 3'' (CH) | 77 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 61.7 |
| 1''' (CH) | 95.1 |
| 2''' (CH) | 73.4 |
| 3''' (CH) | 77.5 |
| 4''' (CH) | 70.1 |
| 5''' (CH) | 77.7 |
| 6''' (CH2) | 69.5 |
| 1'''' (CH) | 104.1 |
| 2'''' (CH) | 74.3 |
| 3'''' (CH) | 76.2 |
| 4'''' (CH) | 70.2 |
| 5'''' (CH2) | 66.3 |
