Spektraris NMR
3beta-(alpha-L-Arabinopyranosyloxy)oleana-12-ene-28,30-dioic acid 28-(beta-D-glucopyranosyl)30-methyl ester
Common Name: 3beta-(alpha-L-Arabinopyranosyloxy)oleana-12-ene-28,30-dioic acid 28-(beta-D-glucopyranosyl)30-methyl ester
Synonyms: 3beta-(alpha-L-Arabinopyranosyloxy)oleana-12-ene-28,30-dioic acid 28-(beta-D-glucopyranosyl)30-methyl ester
CAS Registry Number:
InChI: InChI=1S/C42H66O14/c1-37(2)25-10-13-41(6)26(39(25,4)12-11-27(37)55-33-31(48)28(45)23(44)20-53-33)9-8-21-22-18-38(3,35(50)52-7)14-16-42(22,17-15-40(21,41)5)36(51)56-34-32(49)30(47)29(46)24(19-43)54-34/h8,22-34,43-49H,9-20H2,1-7H3/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=YWERWLJYKHGXRU-MLOUQJFESA-N
Formula: C42H66O14
Molecular Weight: 794.966666
Exact Mass: 794.445257
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuljanabhagavad, T., Thongphasuk, P., Chamulitrat, W., Wink, M. Phytochemistry (2008) 69, 1919-26
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) | 38.52 |
| 2 (CH2) | 26.51 |
| 3 (CH) | 87.22 |
| 4 (C) | 39.53 |
| 5 (CH) | 56.01 |
| 6 (CH2) | 18.47 |
| 7 (CH2) | 33.53 |
| 8 (C) | 39.72 |
| 9 (CH) | 47.51 |
| 10 (C) | 37.01 |
| 11 (CH2) | 23.33 |
| 12 (CH) | 123.12 |
| 13 (C) | 144.22 |
| 14 (C) | 42.04 |
| 15 (CH2) | 28.25 |
| 16 (CH2) | 23.91 |
| 17 (C) | 46.23 |
| 18 (CH) | 42.62 |
| 19 (CH2) | 43.34 |
| 20 (C) | 44.22 |
| 21 (CH2) | 30.74 |
| 22 (CH2) | 34.55 |
| 23 (CH3) | 28.42 |
| 24 (CH3) | 17.54 |
| 25 (CH3) | 15.45 |
| 26 (CH3) | 16.92 |
| 27 (CH3) | 26.04 |
| 28 (C) | 177.24 |
| 29 (CH3) | 28.52 |
| 30 (C) | 180.26 |
| 1' (CH) | 105.93 |
| 2' (CH) | 73.89 |
| 3' (CH) | 75.49 |
| 4' (CH) | 70.45 |
| 5' (CH2) | 67.68 |
| 1'' (CH) | 95.89 |
| 2'' (CH) | 75.01 |
| 3'' (CH) | 80.21 |
| 4'' (CH) | 71.57 |
| 5'' (CH) | 79.67 |
| 6'' (CH2) | 62.78 |
| 30a (CH3) | 51.78 |
