Spektraris NMR
Pachyclavulariaenone F
Common Name: Pachyclavulariaenone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-10-6-13(24)17-11(2)9-27-22(5)15(25)7-16(28-12(3)23)21(4,26)8-14-18(10)19(17)20(22)29-14/h6,11,14-20,25-26H,7-9H2,1-5H3/t11-,14-,15+,16+,17-,18-,19-,20-,21+,22-/m0/s1
InChIKey: InChIKey=HGCHDTMKJFVBHB-GFLKERTHSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Sheu, J.H., Duh, C.Y., Chiang, M.Y. J Nat Prod (2002) 65, 1475-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 38 |
| 2 (CH) | 84.6 |
| 3 (C) | 77.9 |
| 4 (CH) | 69.7 |
| 5 (CH2) | 35.7 |
| 6 (CH) | 77.4 |
| 7 (C) | 73.6 |
| 8 (CH2) | 45.5 |
| 9 (CH) | 79 |
| 10 (CH) | 51.7 |
| 11 (C) | 158.6 |
| 12 (CH) | 128.2 |
| 13 (C) | 197.1 |
| 14 (CH) | 49.3 |
| 15 (CH3) | 17.1 |
| 16 (CH3) | 26.6 |
| 17 (CH3) | 21.1 |
| 18 (CH) | 30.8 |
| 19 (CH3) | 17.3 |
| 20 (CH2) | 64.7 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.1 |
