Spektraris NMR
Nevosanin A 1-acetate
Common Name: Nevosanin A 1-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O7/c1-12(24)30-16-7-8-20(2,3)17-19(26)23(27)22-9-13(14(10-28-4)18(22)25)5-6-15(22)21(16,17)11-29-23/h13-17,19,26-27H,5-11H2,1-4H3/t13-,14-,15+,16+,17-,19+,21-,22+,23-/m1/s1
InChIKey: InChIKey=GFIMDANXRDUSJA-TZXXNOLISA-N
Formula: C23H34O7
Molecular Weight: 422.512746
Exact Mass: 422.230453
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Hu, H.P., Wang, H.P., Wang, S.Q., Ueda, S., Fujita, T. Phytochemistry (1994) 37, 1367-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 75.8 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 38.5 |
| 4 (C) | 33.8 |
| 5 (CH) | 62 |
| 6 (CH) | 74.3 |
| 7 (C) | 95.4 |
| 8 (C) | 60.7 |
| 9 (CH) | 50.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 19.4 |
| 13 (CH) | 29.5 |
| 14 (CH2) | 28.6 |
| 15 (C) | 223.8 |
| 16 (CH) | 57.4 |
| 17 (CH2) | 68 |
| 18 (CH3) | 63.4 |
| 19 (CH3) | 32.6 |
| 20 (CH2) | 21.6 |
| 1a (C) | 169.9 |
| 1b (CH3) | 21.4 |
| 17a (CH3) | 58.6 |
