Spektraris NMR
3-O-[b-D-Glucopyranosyl-(1-->3)-b-D-galactopyranosyl-(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-galactopyranosyl-(1--> 3)-b-D-glucuronopyranosyl]-28-O-[b-D-xylopyranosyl-(1-->6)-b-D-glucopyranosyl]-oleanolic acid](/nmr/static/nmr/svg/19774.svg)
Common Name: 3-O-[b-D-Glucopyranosyl-(1-->3)-b-D-galactopyranosyl-(1--> 3)-b-D-glucuronopyranosyl]-28-O-[b-D-xylopyranosyl-(1-->6)-b-D-glucopyranosyl]-oleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-50-40(71)37(68)34(65)28(82-50)22-79-48-38(69)32(63)25(62)21-78-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-43(74)45(41(72)46(86-52)47(75)76)85-51-42(73)44(35(66)27(20-61)81-51)84-49-39(70)36(67)33(64)26(19-60)80-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44-,45-,46-,48-,49-,50-,51-,52+,56-,57+,58+,59-/m0/s1
InChIKey: InChIKey=MASRBQFYLATORK-XPQACFPXSA-N
Formula: C59H94O28
Molecular Weight: 1251.363187
Exact Mass: 1250.593162
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) | 27.9 |
| 3 (CH) | 89 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18 |
| 7 (CH2) | 31.9 |
| 8 (C) | 38.9 |
| 9 (C) | 47.4 |
| 10 (C) | 36.4 |
| 11 (CH2) | 22.8 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.6 |
| 14 (C) | 41.6 |
| 15 (CH2) | 25.7 |
| 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) | 32.6 |
| 23 (CH3) | 27.7 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.6 |
| 28 (C) | 176.5 |
| 29 (CH3) | 23.2 |
| 30 (CH3) | 32.7 |
| 1' (CH) | 105.3 |
| 2' (CH) | 74.5 |
| 3' (CH) | 85.8 |
| 4' (CH) | 70.6 |
| 5' (CH) | 77 |
| 6' (C) | 173.2 |
| 1'' (CH) | 104.4 |
| 2'' (CH) | 71 |
| 3'' (CH) | 83.3 |
| 4'' (CH) | 69 |
| 5'' (CH) | 76 |
| 6'' (CH2) | 61.5 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 75.8 |
| 3''' (CH) | 77.4 |
| 4''' (CH) | 70.3 |
| 5''' (CH) | 77.6 |
| 6''' (CH2) | 61.4 |
| 1'''' (CH) | 95 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 77.6 |
| 4'''' (CH) | 71.1 |
| 5'''' (CH) | 78.3 |
| 6'''' (CH2) | 69.4 |
| 1''''' (CH) | 104.2 |
| 2''''' (CH) | 74.2 |
| 3''''' (CH) | 76.6 |
| 4''''' (CH) | 70.1 |
| 5''''' (CH2) | 66.2 |
