Spektraris NMR
Cespihypotin A
Common Name: Cespihypotin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-12-5-6-14-7-8-16(21)18(19(14,3)4)23-17(22)11-13(2)10-15(20)9-12/h10,14-15,18,20H,1,5-9,11H2,2-4H3/b13-10+/t14-,15+,18+/m1/s1
InChIKey: InChIKey=GHDLYQILWUCHCW-RMEYRIQTSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lin, J.J., Wu, Y.R., Chang, J.Y., Duh, C.Y., Lo, K.L. Tetrahedron Lett (2006) 47, 6651-55
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) | 42.3 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 39 |
| 4 (C) | 146.2 |
| 5 (CH2) | 42.1 |
| 6 (CH) | 70.1 |
| 7 (CH) | 134.7 |
| 8 (C) | 129.1 |
| 9 (CH2) | 45.8 |
| 10 (C) | 169.3 |
| 11 (CH) | 84.5 |
| 12 (C) | 206.9 |
| 13 (CH2) | 33.1 |
| 14 (CH2) | 29.4 |
| 15 (C) | 42 |
| 16 (CH3) | 25.3 |
| 17 (CH3) | 24.6 |
| 19 (CH3) | 17.3 |
| 20 (CH2) | 114.2 |
