Spektraris NMR
Cespitulactam H
Common Name: Cespitulactam H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H31NO2/c1-13-6-7-15-8-9-17-19(21(15,3)4)18(22(5)20(17)24)12-14(2)11-16(23)10-13/h11,15-16,18,23H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+,18-/m1/s1
InChIKey: InChIKey=FAECNZSNKREOBT-RRXMBOSASA-N
Formula: C21H31N1O2
Molecular Weight: 329.47717
Exact Mass: 329.235479
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) | 43.1 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 32 |
| 4 (C) | 146.6 |
| 5 (CH2) | 43.8 |
| 6 (CH) | 68.4 |
| 7 (CH) | 133.9 |
| 8 (C) | 133.7 |
| 9 (CH2) | 38.6 |
| 10 (CH) | 62.8 |
| 11 (C) | 132 |
| 12 (C) | 160.2 |
| 13 (CH2) | 32.3 |
| 14 (CH2) | 24.3 |
| 15 (C) | 36.8 |
| 16 (CH3) | 35.1 |
| 17 (CH3) | 25.3 |
| 18 (C) | 170.8 |
| 19 (CH3) | 16.9 |
| 20 (CH2) | 113.6 |
| 18a (CH3) | 27.1 |
