Spektraris NMR
Pachyclavulariaenone D
Common Name: Pachyclavulariaenone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-10-5-6-15(22)20(4)19-18-16(12(3)9-23-20)13(21)8-11(2)17(18)14(7-10)24-19/h5,8,12,14-19,22H,6-7,9H2,1-4H3/b10-5-/t12-,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey: InChIKey=MZJQEVBIFVOTEZ-HEWGSXFMSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
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) | 39.1 |
| 2 (CH) | 85.4 |
| 3 (C) | 78.6 |
| 4 (CH) | 72.5 |
| 5 (CH2) | 33.1 |
| 6 (CH) | 127.3 |
| 7 (C) | 129.9 |
| 8 (CH2) | 38.6 |
| 9 (CH) | 81.6 |
| 10 (CH) | 48.7 |
| 11 (C) | 156.6 |
| 12 (CH) | 126.9 |
| 13 (C) | 198 |
| 14 (CH) | 48.4 |
| 15 (CH3) | 19 |
| 16 (CH3) | 29.7 |
| 17 (CH3) | 21.9 |
| 18 (CH) | 31.9 |
| 19 (CH3) | 18.1 |
| 20 (CH2) | 65.1 |
