Spektraris NMR
3beta-[[4-O-[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
![3beta-[[4-O-[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/21491.svg)
Common Name: 3beta-[[4-O-[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Synonyms: 3beta-[[4-O-[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-47-39(66)35(62)33(60)26(20-56)71-47)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)74-44-40(67)36(63)42(27(21-57)72-44)76-46-41(68)37(64)43(28(22-58)73-46)75-45-38(65)34(61)32(59)25(19-55)70-45/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=LQJIUAZEZONEIA-WROAEOQZSA-N
Formula: C54H88O23
Molecular Weight: 1105.264838
Exact Mass: 1104.571639
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sha, B.A., Chib, R., Gupta, P., Sethi, V.K., Koul, S., Andotra, S.S., Nargotra, A., Sharma, S., Pandey, A., Bani, S., Purnima, B., Taneja, S.C. Org Biomol Chem (2009) 7, 3230-5
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) | 37 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 89.1 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.4 |
| 8 (C) | 41.6 |
| 9 (CH) | 48 |
| 10 (C) | 39.8 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.8 |
| 13 (C) | 144.8 |
| 14 (C) | 41.7 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.1 |
| 18 (CH) | 39.9 |
| 19 (CH2) | 47 |
| 20 (C) | 30.7 |
| 21 (CH2) | 32.5 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.1 |
| 28 (C) | 178.5 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 33.2 |
| 1' (CH) | 106.5 |
| 2' (CH) | 75.2 |
| 3' (CH) | 76.3 |
| 4' (CH) | 80.6 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 81.1 |
| 5'' (CH) | 76.5 |
| 6'' (CH2) | 62.2 |
| 1''' (CH) | 95.7 |
| 2''' (CH) | 74.6 |
| 3''' (CH) | 76.4 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 79.2 |
| 6''' (CH2) | 62.4 |
| 1'''' (CH) | 104.4 |
| 2'''' (CH) | 74 |
| 3'''' (CH) | 78.1 |
| 4'''' (CH) | 71.1 |
| 5'''' (CH) | 78.8 |
| 6'''' (CH2) | 61.6 |
