Spektraris NMR
3_acetyl-Jezananal A
Common Name: 3_acetyl-Jezananal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O4/c1-21(35)37-27-14-17-32(8)24-11-10-23-30(6,19-33(24,20-34)18-25(32)29(27,4)5)15-12-22-28(2,3)26(36-9)13-16-31(22,23)7/h20,22-27H,10-19H2,1-9H3/t22-,23-,24+,25-,26-,27+,30-,31-,32+,33+/m0/s1
InChIKey: InChIKey=HGFZTZGXSVPRPS-HCYJAJHUSA-N
Formula: C33H54O4
Molecular Weight: 514.780705
Exact Mass: 514.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., In, Y., Ishida, T., Matsunaga, S., Tokuda, H., Muraoka, O. Tetrahedron (2002) 58, 2505-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 38.2 |
| 2 (CH2) | 22.1 |
| 3 (CH) | 88.5 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 44.5 |
| 8 (C) | 39 |
| 9 (CH) | 66.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 29 |
| 13 (CH) | 49.7 |
| 14 (C) | 59 |
| 15 (CH) | 204.2 |
| 16 (CH2) | 34.7 |
| 17 (CH) | 46.7 |
| 18 (C) | 44.6 |
| 19 (CH2) | 33.4 |
| 20 (CH2) | 24.2 |
| 21 (CH) | 77.2 |
| 22 (C) | 36 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 22.8 |
| 27 (CH2) | 54.8 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 22 |
| 30 (CH3) | 27.8 |
| 3a (CH3) | 57.5 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.3 |
