Spektraris NMR
Cespitulactam K
Common Name: Cespitulactam K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H37NO3/c1-18-5-8-21-9-12-24-26(28(21,3)4)25(17-19(2)16-23(31)15-18)29(27(24)32)14-13-20-6-10-22(30)11-7-20/h6-7,10-11,16,21,23-24,30-31H,1,5,8-9,12-15,17H2,2-4H3/b19-16+/t21-,23+,24+/m1/s1
InChIKey: InChIKey=USYVWERWVKDSSW-KXBDFOAZSA-N
Formula: C28H37N1O3
Molecular Weight: 435.599371
Exact Mass: 435.277344
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) | 47.6 |
| 2 (CH2) | 34 |
| 3 (CH2) | 37.5 |
| 4 (C) | 146.1 |
| 5 (CH2) | 46.9 |
| 6 (CH) | 70.2 |
| 7 (CH) | 130.9 |
| 8 (C) | 131 |
| 9 (CH2) | 33.8 |
| 10 (C) | 135.8 |
| 11 (C) | 121.6 |
| 12 (CH) | 46.5 |
| 13 (CH2) | 27 |
| 14 (CH2) | 29.7 |
| 15 (C) | 40.2 |
| 16 (CH3) | 30.7 |
| 17 (CH3) | 27.6 |
| 18 (C) | 180.5 |
| 19 (CH3) | 15.93 |
| 20 (CH2) | 115.2 |
| 1' (CH2) | 41.7 |
| 2' (CH2) | 34.5 |
| 3' (C) | 129.8 |
| 4' (CH) | 130 |
| 5' (CH) | 115.5 |
| 6' (C) | 154.9 |
| 7' (CH) | 115.5 |
| 8' (CH) | 130 |
