Spektraris NMR
Pachyclavulariolide N
Common Name: Pachyclavulariolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-6-5-7-13(2)16-8-9-20(4,24-16)18(21)11-15-14(3)19(22)23-17(15)10-12/h6,13,16-18,21H,5,7-11H2,1-4H3/b12-6+/t13-,16+,17+,18+,20-/m0/s1
InChIKey: InChIKey=OFDXQVMWNHHDDC-OIXUOUKGSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Wang, G.H., Duh, C.Y., Soong, K. J Nat Prod (2003) 66, 662-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 163.2 |
| 2 (CH) | 79.2 |
| 3 (CH2) | 44.5 |
| 4 (C) | 130.1 |
| 5 (CH) | 131.2 |
| 6 (CH2) | 25.2 |
| 7 (CH2) | 32.9 |
| 8 (CH) | 40.2 |
| 9 (CH) | 84.4 |
| 10 (CH2) | 30.8 |
| 11 (CH2) | 36.9 |
| 12 (C) | 84.4 |
| 13 (CH) | 73.8 |
| 14 (CH2) | 29.1 |
| 15 (C) | 125.9 |
| 16 (C) | 171 |
| 17 (CH3) | 8.9 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 16 |
| 20 (CH3) | 19.8 |
