Spektraris NMR
methyl 2-acetyl Tormentate
Common Name: methyl 2-acetyl Tormentate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O6/c1-19-12-15-33(27(36)38-9)17-16-30(6)21(25(33)32(19,8)37)10-11-24-29(5)18-22(39-20(2)34)26(35)28(3,4)23(29)13-14-31(24,30)7/h10,19,22-26,35,37H,11-18H2,1-9H3/t19-,22-,23+,24-,25-,26+,29+,30-,31-,32-,33+/m1/s1
InChIKey: InChIKey=WDLTZQAZOXFRGL-RWJBENBGSA-N
Formula: C33H52O6
Molecular Weight: 544.763633
Exact Mass: 544.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lontsi, D., Sondengam, B.L., Martin, M.T., Bodo, B. Phytochemistry (1998) 48, 171-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 43.67 |
| 2 (CH) | 73.28 |
| 3 (CH) | 80.87 |
| 4 (C) | 39.92 |
| 5 (CH) | 55 |
| 6 (CH2) | 18.36 |
| 7 (CH2) | 32.56 |
| 8 (C) | 39.72 |
| 9 (CH) | 47.1 |
| 10 (C) | 38.19 |
| 11 (CH2) | 23.73 |
| 12 (CH) | 128.79 |
| 13 (C) | 138.14 |
| 14 (C) | 41.15 |
| 15 (CH2) | 28.11 |
| 16 (CH2) | 25.41 |
| 17 (C) | 47.82 |
| 18 (CH) | 53.14 |
| 19 (C) | 73.13 |
| 20 (CH) | 41.06 |
| 21 (CH2) | 25.96 |
| 22 (CH2) | 37.33 |
| 23 (CH3) | 28.49 |
| 24 (CH3) | 16.61 |
| 25 (CH3) | 16.23 |
| 26 (CH3) | 16.58 |
| 27 (CH3) | 24.49 |
| 28 (C) | 178.28 |
| 29 (CH3) | 27.36 |
| 30 (CH3) | 16.1 |
| 2a (C) | 171.61 |
| 2b (CH3) | 21.36 |
| 28a (CH3) | 51.6 |
