Spektraris NMR
Cespihypotin M
Common Name: Cespihypotin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(23-19(16)22)11-13(2)10-15(21)9-12/h5,13-14,17H,6-11H2,1-4H3/b12-5-/t13-,14-,17-/m1/s1
InChIKey: InChIKey=WRQUVVQKPFKTHV-WJZZHTQMSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Lo, K.L., Chen, C.Y., Khalil, A.T., Shen, Y.C. Helv Chim Acta (2008) 91, 2308-15
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) | 32.4 |
| 3 (CH) | 129.7 |
| 4 (C) | 127.1 |
| 5 (CH2) | 44.1 |
| 6 (C) | 209.4 |
| 7 (CH2) | 51.7 |
| 8 (CH) | 25.3 |
| 9 (CH2) | 36.9 |
| 10 (CH) | 81.1 |
| 11 (C) | 168.5 |
| 12 (C) | 126 |
| 13 (CH2) | 25.4 |
| 14 (CH2) | 16.7 |
| 15 (C) | 38.3 |
| 16 (CH3) | 25.3 |
| 17 (CH3) | 34.4 |
| 18 (C) | 174.8 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 24.7 |
