Spektraris NMR
Cespitulactam I
Common Name: Cespitulactam I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H29NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-14,16,24H,1,5-10H2,2-4H3,(H,21,23)/b17-11+/t13?,14-,16?,20?/m1/s1
InChIKey: InChIKey=KFRPDESGMXVVHV-HOWPRUBTSA-N
Formula: C20H29N1O3
Molecular Weight: 331.449958
Exact Mass: 331.214744
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) | 43.6 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 35.1 |
| 4 (C) | 143.6 |
| 5 (CH2) | 53.2 |
| 6 (C) | 208.1 |
| 7 (CH2) | 49.1 |
| 8 (CH) | 29.3 |
| 9 (CH) | 110.4 |
| 10 (C) | 142.1 |
| 11 (C) | 79.3 |
| 12 (CH) | 49.8 |
| 13 (CH2) | 30.6 |
| 14 (CH2) | 24 |
| 15 (C) | 40.9 |
| 16 (CH3) | 29 |
| 17 (CH3) | 22.7 |
| 18 (C) | 177.5 |
| 19 (CH3) | 20.4 |
| 20 (CH2) | 116.3 |
