Spektraris NMR
Cespihypotin H
Common Name: Cespihypotin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-6-18(25)27-19-21-10-9-16-8-7-14(2)11-17(24)12-15(3)13-22(26,28-19)23(21,29-21)20(16,4)5/h6,12,16-17,19,24,26H,1-2,7-11,13H2,3-5H3/p+1/b15-12+/t16-,17+,19+,21-,22-,23-/m1/s1
InChIKey: InChIKey=NJCMIEPJIKSYLP-BSVBPODQSA-O
Formula: C23H32O6
Molecular Weight: 404.497459
Exact Mass: 404.219889
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 : 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) | 44.2 |
| 2 (CH2) | 26.1 |
| 3 (CH2) | 37.8 |
| 4 (C) | 145.9 |
| 5 (CH2) | 45.9 |
| 6 (CH) | 69.3 |
| 7 (CH) | 133.8 |
| 8 (C) | 132.5 |
| 9 (CH2) | 40.7 |
| 10 (C) | 94.7 |
| 11 (C) | 75.1 |
| 12 (C) | 78.8 |
| 13 (CH2) | 30.7 |
| 14 (CH2) | 33.9 |
| 15 (C) | 37.5 |
| 16 (CH3) | 26.1 |
| 17 (CH3) | 25.1 |
| 18 (CH) | 96.6 |
| 19 (CH3) | 17.5 |
| 20 (CH2) | 116 |
| 18a (C) | 164.8 |
| 18b (CH) | 127.8 |
| 18c (CH2) | 132.5 |
