Spektraris NMR
Betulic acid 3-O-D-glucoside
Common Name: Betulic acid 3-O-D-glucoside
Synonyms: Betulic acid 3-O-D-glucoside
CAS Registry Number:
InChI: InChI=1S/C36H58O8/c1-19(2)20-10-15-36(31(41)42)17-16-34(6)21(26(20)36)8-9-24-33(5)13-12-25(32(3,4)23(33)11-14-35(24,34)7)44-30-29(40)28(39)27(38)22(18-37)43-30/h20-30,37-40H,1,8-18H2,2-7H3,(H,41,42)/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,33-,34+,35+,36-/m0/s1
InChIKey: InChIKey=KYLRIJXQHYZEKW-XGUXKNSRSA-N
Formula: C36H58O8
Molecular Weight: 618.842295
Exact Mass: 618.413169
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Samoshina, N.F., Denisenko, M.V., Denisenko, V.A., Uvarova, N.I. Chem Nat Compd (2003) 39, 575-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.2 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.9 |
| 8 (C) | 41.2 |
| 9 (CH) | 51 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 38.7 |
| 14 (C) | 42.9 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 33 |
| 17 (C) | 56.6 |
| 18 (CH) | 47.8 |
| 19 (CH) | 50 |
| 20 (C) | 150.1 |
| 21 (CH2) | 30.3 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 15 |
| 28 (C) | 178.4 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.6 |
| 1' (CH) | 106.5 |
| 2' (CH) | 72 |
| 3' (CH) | 75.7 |
| 4' (CH) | 63.2 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 63.2 |
