Spektraris NMR
Pachyclavulariolide R
Common Name: Pachyclavulariolide R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14+,15-,16-,17+,19-,20-/m0/s1
InChIKey: InChIKey=XZOFNDHIXPGCJU-QZOSREMTSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
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 (CH) | 62.9 |
| 2 (C) | 206.3 |
| 3 (CH2) | 54 |
| 4 (C) | 127.3 |
| 5 (CH) | 131.6 |
| 6 (CH2) | 25 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 40.7 |
| 9 (CH) | 85 |
| 10 (CH2) | 30.6 |
| 11 (CH2) | 36.1 |
| 12 (C) | 83.8 |
| 13 (CH) | 76.3 |
| 14 (CH) | 77.1 |
| 15 (C) | 74.9 |
| 16 (C) | 176.4 |
| 17 (CH3) | 19 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 16 |
| 20 (CH3) | 20.6 |
