Spektraris NMR
3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-27-hydroxyoleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
![3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-27-hydroxyoleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/3586.svg)
Common Name: 3beta-[(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-27-hydroxyoleana-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]-27-hydroxyoleana-12-ene-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C53H86O23/c1-48(2)13-14-52(47(68)76-45-41(67)38(64)35(61)28(73-45)21-70-43-39(65)36(62)33(59)26(18-54)71-43)15-16-53(22-56)23(24(52)17-48)7-8-30-50(5)11-10-31(49(3,4)29(50)9-12-51(30,53)6)74-46-42(32(58)25(57)20-69-46)75-44-40(66)37(63)34(60)27(19-55)72-44/h7,24-46,54-67H,8-22H2,1-6H3/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=RRHXEPNZJMTXPY-MFDXPVLDSA-N
Formula: C53H86O23
Molecular Weight: 1091.238221
Exact Mass: 1090.555989
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) | 38.7 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 88.8 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.6 |
| 9 (CH) | 48.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 128 |
| 13 (C) | 139.2 |
| 14 (C) | 48 |
| 15 (CH2) | 23.9 |
| 16 (CH2) | 23.5 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 45.4 |
| 20 (C) | 30.8 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 32.6 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 19 |
| 27 (CH2) | 64.5 |
| 28 (C) | 176.6 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.9 |
| 1' (CH) | 104.7 |
| 2' (CH) | 80.9 |
| 3' (CH) | 73.4 |
| 4' (CH) | 68.2 |
| 5' (CH2) | 64.8 |
| 1'' (CH) | 106 |
| 2'' (CH) | 76.3 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.6 |
| 1''' (CH) | 95.8 |
| 2''' (CH) | 73.9 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 71.1 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 69.5 |
| 1'''' (CH) | 105.4 |
| 2'''' (CH) | 75.2 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH) | 78.5 |
| 6'''' (CH2) | 62.7 |
