Spektraris NMR
Acetyllupeolic acid
Common Name: Acetyllupeolic acid
Synonyms: Acetyllupeolic acid
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23+,24+,25+,26+,28+,29+,30+,31+,32+/m0/s1
InChIKey: InChIKey=DULLEXJVWYWBKQ-BRSKACALSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli G., Mathe C., Archier P., Vieillescazes C. Phytochemistry (2003) 62, 537-41
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) | 34.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 77.2 |
| 4 (C) | 46 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.7 |
| 11 (CH2) | 21 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38.8 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43 |
| 18 (CH) | 48.2 |
| 19 (CH) | 47.9 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30 |
| 22 (CH2) | 40 |
| 23 (CH3) | 23.8 |
| 24 (C) | 182.9 |
| 25 (CH3) | 12.4 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.1 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.4 |
