Spektraris NMR
Cespitulactam J
Common Name: Cespitulactam J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38N2O2/c1-19-9-10-22-11-12-25-28(30(22,3)4)27(17-20(2)16-23(33)15-19)32(29(25)34)14-13-21-18-31-26-8-6-5-7-24(21)26/h5-8,16,18,22-23,27,31,33H,1,9-15,17H2,2-4H3/b20-16+/t22-,23+,27-/m1/s1
InChIKey: InChIKey=ABTDHHPHHKFQBT-USINTNLNSA-N
Formula: C30H37N2O2
Molecular Weight: 457.628181
Exact Mass: 457.285503
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) | 43 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 31.8 |
| 4 (C) | 146.7 |
| 5 (CH2) | 43.8 |
| 6 (CH) | 68.3 |
| 7 (CH) | 133.7 |
| 8 (C) | 133.6 |
| 9 (CH2) | 38.3 |
| 10 (CH) | 60.6 |
| 11 (C) | 131.8 |
| 12 (C) | 160.4 |
| 13 (CH2) | 32.2 |
| 14 (CH2) | 24.2 |
| 15 (C) | 36.7 |
| 16 (CH3) | 34.8 |
| 17 (CH3) | 25.1 |
| 18 (C) | 171 |
| 19 (CH3) | 17 |
| 20 (CH2) | 113.4 |
| 1' (CH2) | 40.3 |
| 2' (CH2) | 24.3 |
| 3' (C) | 113.2 |
| 4' (CH) | 121.9 |
| 6' (C) | 136.2 |
| 7' (CH) | 111.2 |
| 8' (CH) | 122.1 |
| 9' (CH) | 119.5 |
| 10' (CH) | 118.6 |
| 11' (C) | 127.4 |
