Spektraris NMR
3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
![3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/3587.svg)
Common Name: 3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
Synonyms: 3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]oleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-41(66)38(63)35(60)28(72-45)22-69-43-39(64)36(61)33(58)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-46-42(32(57)25(56)21-68-46)74-44-40(65)37(62)34(59)27(20-55)71-44/h8,24-46,54-66H,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-,50-,51+,52+,53-/m0/s1
InChIKey: InChIKey=FNNMEJXCIARVCO-WGCVIKQWSA-N
Formula: C53H86O22
Molecular Weight: 1075.238816
Exact Mass: 1074.561074
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Abdel Khalik, S.M., Miyase, T., El-Ashaal, H.A., Melek, F.R. Phytochemistry (2000) 54, 853-9
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) | 26.5 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40 |
| 9 (CH) | 48.1 |
| 10 (C) | 37 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 123.3 |
| 13 (C) | 144.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.5 |
| 17 (C) | 47.1 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.6 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26.1 |
| 28 (C) | 176.6 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 104.8 |
| 2' (CH) | 81 |
| 3' (CH) | 73.4 |
| 4' (CH) | 68.2 |
| 5' (CH2) | 64.8 |
| 1'' (CH) | 106 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 95.7 |
| 2''' (CH) | 74 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 71.1 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 69.6 |
| 1'''' (CH) | 105.3 |
| 2'''' (CH) | 75.2 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH) | 78.5 |
| 6'''' (CH2) | 62.8 |
