Spektraris NMR
2-O-Acetylmaslinic acid
Common Name: 2-O-Acetylmaslinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-19(33)37-22-18-29(6)23(28(4,5)25(22)34)11-12-31(8)24(29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=SLLMHUNWRZOHCM-PROZZQCMSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Thoison O., Sevenet T., Niemeyer H.M., Russell G.B. Phytochemistry (2004) 65, 2173-6
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) | 44.8 |
| 2 (CH) | 73.4 |
| 3 (CH) | 81.5 |
| 4 (C) | 40.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.8 |
| 8 (C) | 39.7 |
| 9 (CH) | 48 |
| 10 (C) | 38.7 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 123 |
| 13 (C) | 144 |
| 14 (C) | 42 |
| 15 (CH2) | 28 |
| 16 (CH2) | 23.3 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 46.2 |
| 20 (C) | 31 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 30 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 17 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.3 |
| 28 (C) | 185 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 24 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.8 |
