Spektraris NMR
3beta-[6-O-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid
![3beta-[6-O-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid](/nmr/static/nmr/svg/3592.svg)
Common Name: 3beta-[6-O-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid
Synonyms: 3beta-[6-O-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)64-40-37(56)34(53)32(51)26(63-40)21-61-39-36(55)33(52)31(50)25(62-39)20-60-38-35(54)30(49)24(48)19-59-38/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=SAPHLLAJXWRHLX-KNBGHJLISA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ye, W.C., Zhang, Q.W., Liu, X., Che, C.T., Zhao, S.X. Phytochemistry (2000) 53, 893-9
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) | 38.7 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 89 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 37 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.8 |
| 13 (C) | 144.4 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.4 |
| 17 (C) | 46.5 |
| 18 (CH) | 41.9 |
| 19 (CH2) | 46.1 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.4 |
| 22 (CH2) | 33.1 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 17 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26.1 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 107 |
| 2' (CH) | 75 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77 |
| 6' (CH2) | 70.4 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 69.8 |
| 1''' (CH) | 106 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78 |
| 4''' (CH) | 71.1 |
| 5''' (CH2) | 67 |
