Spektraris NMR
28-O-α-L-rhamnopyranosyl(1--> 4)-β-D-glucopyranosyl(1--> 6)-β-D-glucopyranosyl esters of 3 α,29-dihydroxy-olean-12-en-28-oic acid
Common Name: 28-O-α-L-rhamnopyranosyl(1--> 4)-β-D-glucopyranosyl(1--> 6)-β-D-glucopyranosyl esters of 3 α,29-dihydroxy-olean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-44(4,21-50)18-24(48)23-8-9-28-45(5)12-11-29(51)43(2,3)27(45)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44+,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=QMIBWALTTZKWNN-OMAXGHDUSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Miyakoshi, M., Isoda, S., Sato, H., Hirai, Y., Shoji, J., Ida, Y. Phytochemistry (1997) 46, 1255-9
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) | 33.6 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 75.1 |
| 4 (C) | 37.9 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123 |
| 13 (C) | 144.3 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.4 |
| 17 (C) | 47.5 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 41 |
| 20 (C) | 36.4 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 32 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 22.7 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26 |
| 28 (C) | 176.6 |
| 29 (CH2) | 73.6 |
| 30 (CH3) | 19.7 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.7 |
| 4' (CH) | 70.7 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 69.2 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 78.2 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 61.2 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 73.9 |
| 5''' (CH) | 70.3 |
| 6''' (CH3) | 18.5 |
