Spektraris NMR
Pachyclavulariolide Q
Common Name: Pachyclavulariolide Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-11-6-5-7-12(2)15-8-9-20(4,25-15)18(22)17-16(14(21)10-11)13(3)19(23)24-17/h6,12-13,15-18,22H,5,7-10H2,1-4H3/b11-6+/t12-,13+,15+,16-,17-,18+,20-/m0/s1
InChIKey: InChIKey=UWAIXFGHQNPRSB-DYOCNAENSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 60.3 |
| 2 (C) | 205.2 |
| 3 (CH2) | 49.7 |
| 4 (C) | 127.7 |
| 5 (CH) | 131.1 |
| 6 (CH2) | 29.8 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 39 |
| 9 (CH) | 85 |
| 10 (CH2) | 30.1 |
| 11 (CH2) | 37.4 |
| 12 (C) | 83.7 |
| 13 (CH) | 76.1 |
| 14 (CH) | 76.8 |
| 15 (CH) | 38.8 |
| 16 (C) | 177.5 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 17 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 21.6 |
