Spektraris NMR
3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
![3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/3594.svg)
Common Name: 3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
Synonyms: 3beta-[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyloxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-47-43(68)39(64)35(60)28(75-47)22-71-45-41(66)37(62)33(58)26(20-56)73-45)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)76-46-42(67)38(63)34(59)27(74-46)21-70-44-40(65)36(61)32(57)25(19-55)72-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=FUKCUDXOUWPKHZ-UGNBZHHOSA-N
Formula: C54H88O23
Molecular Weight: 1105.264838
Exact Mass: 1104.571639
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) | 18.5 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 37 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.9 |
| 13 (C) | 144.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.4 |
| 17 (C) | 47 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 17 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26.4 |
| 28 (C) | 176.5 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 106.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77 |
| 6' (CH2) | 70.5 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.5 |
| 6'' (CH2) | 62.6 |
| 1''' (CH) | 95.7 |
| 2''' (CH) | 73.9 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 70.9 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 69.3 |
| 1'''' (CH) | 105.3 |
| 2'''' (CH) | 75.2 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH) | 78.4 |
| 6'''' (CH2) | 62.7 |
