Spektraris NMR
3beta-[[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
![3beta-[[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/21490.svg)
Common Name: 3beta-[[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy]oleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Synonyms: 3beta-[[4-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy]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)66-41-36(58)33(55)31(53)25(20-50)62-41)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)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/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=NAIMCEFAGOEXSH-AXSWPVCSSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
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) | 38.7 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 88.3 |
| 4 (C) | 33.3 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 32.4 |
| 8 (C) | 38 |
| 9 (CH) | 48.9 |
| 10 (C) | 31.8 |
| 11 (CH2) | 23 |
| 12 (CH) | 124.8 |
| 13 (C) | 145.8 |
| 14 (C) | 41 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 23.9 |
| 17 (C) | 45.5 |
| 18 (CH) | 40.8 |
| 19 (CH2) | 46.1 |
| 20 (C) | 30.1 |
| 21 (CH2) | 33.2 |
| 22 (CH2) | 32.1 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 14.9 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 25.4 |
| 28 (C) | 179.1 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 32.5 |
| 1' (CH) | 105.7 |
| 2' (CH) | 74.5 |
| 3' (CH) | 75.7 |
| 4' (CH) | 80.6 |
| 5' (CH) | 76.1 |
| 6' (CH2) | 61.6 |
| 1'' (CH) | 104.2 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 77.4 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 61.5 |
| 1''' (CH) | 91 |
| 2''' (CH) | 74.1 |
| 3''' (CH) | 77.6 |
| 4''' (CH) | 70.4 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 62.6 |
