Spektraris NMR
Cespihypotin J
Common Name: Cespihypotin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O5/c1-13-7-8-17-9-10-19-21(24(17,5)6)22(27)20(23(19)29-16(4)26)14(2)12-18(11-13)28-15(3)25/h12,17-18,20,23H,1,7-11H2,2-6H3/b14-12+/t17-,18+,20-,23+/m1/s1
InChIKey: InChIKey=YICUPWCFXISWNS-RSCJFQSYSA-N
Formula: C24H32O5
Molecular Weight: 400.50879
Exact Mass: 400.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.-C., Wu, Y.-R., Lin, J.-J., Lo, K.-L., Kuo, Y.-C., Khalil, A.T. Tetrahedron (2007) 63, 10914-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cespitularanes; 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) | 41.7 |
| 2 (CH2) | 22.2 |
| 3 (CH2) | 30.7 |
| 4 (C) | 144.7 |
| 5 (CH2) | 42.5 |
| 6 (CH) | 69.9 |
| 7 (CH) | 127.8 |
| 8 (C) | 134.9 |
| 9 (CH) | 60.8 |
| 10 (C) | 202.6 |
| 11 (C) | 147.9 |
| 12 (C) | 165.7 |
| 13 (CH2) | 22.7 |
| 14 (CH2) | 28.5 |
| 15 (C) | 33.9 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 30.7 |
| 18 (CH) | 74.2 |
| 19 (CH3) | 18.9 |
| 20 (CH2) | 112.8 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.4 |
| 18a (C) | 170.5 |
| 18b (CH3) | 21.1 |
