Spektraris NMR
3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
![3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/3591.svg)
Common Name: 3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Synonyms: 3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-38(59)34(55)31(52)25(20-50)63-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)65-40-37(58)35(56)32(53)26(64-40)21-61-39-36(57)33(54)30(51)24(19-49)62-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=NGLIQDUUYDLHKM-KXESMRJQSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
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) | 38.8 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.9 |
| 13 (C) | 144 |
| 14 (C) | 42 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.3 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.6 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 17 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26 |
| 28 (C) | 176.4 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 33.6 |
| 1' (CH) | 106.9 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77 |
| 6' (CH2) | 70.4 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 75.5 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 95.7 |
| 2''' (CH) | 74.1 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 71 |
| 5''' (CH) | 79.3 |
| 6''' (CH2) | 62.1 |
