Spektraris NMR
Cespitulactam D
Common Name: Cespitulactam D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H29NO2/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(21-19(16)23)11-13(2)10-15(22)9-12/h10,14-15,17,22H,1,5-9,11H2,2-4H3,(H,21,23)/b13-10+/t14-,15+,17-/m1/s1
InChIKey: InChIKey=DZPGQVGXKGIMGH-CZIVKBJPSA-N
Formula: C20H29N1O2
Molecular Weight: 315.450553
Exact Mass: 315.219829
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Cheng, Y.B., Kobayashi, J., Kubota, T., Takahashi, Y., Mikami, Y., Ito, J., Lin, Y.S. J Nat Prod (2007) 70, 1961-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 42.9 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 31.9 |
| 4 (C) | 146.7 |
| 5 (CH2) | 43.7 |
| 6 (CH) | 68.3 |
| 7 (CH) | 134 |
| 8 (C) | 133.7 |
| 9 (CH2) | 42.3 |
| 10 (CH) | 58.3 |
| 11 (C) | 131.9 |
| 12 (C) | 162.7 |
| 13 (CH2) | 31.8 |
| 14 (CH2) | 24.1 |
| 15 (C) | 36.9 |
| 16 (CH3) | 34.9 |
| 17 (CH3) | 24.9 |
| 18 (C) | 173.8 |
| 19 (CH3) | 18.5 |
| 20 (CH2) | 113.3 |
