Spektraris NMR
Pachyclavulariolide M
Common Name: Pachyclavulariolide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O9/c1-12-7-8-17-23(6,32-17)11-24(28)18(13(2)21(27)33-24)19(29-14(3)25)20(30-15(4)26)22(5)10-9-16(12)31-22/h12,16-17,19-20,28H,7-11H2,1-6H3/t12-,16+,17+,19-,20+,22-,23+,24+/m0/s1
InChIKey: InChIKey=ZDWIWCIAHNELKV-BSUPVGLKSA-N
Formula: C24H34O9
Molecular Weight: 466.522292
Exact Mass: 466.220283
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) | 155.7 |
| 2 (C) | 105.5 |
| 3 (CH2) | 46.7 |
| 4 (C) | 58.9 |
| 5 (CH) | 64.7 |
| 6 (CH2) | 25 |
| 7 (CH2) | 29.5 |
| 8 (CH) | 40.7 |
| 9 (CH) | 85.3 |
| 10 (CH2) | 30.6 |
| 11 (CH2) | 39.3 |
| 12 (C) | 82.3 |
| 13 (CH) | 74.5 |
| 14 (CH) | 70 |
| 15 (C) | 128.6 |
| 16 (C) | 173.1 |
| 17 (CH3) | 9.5 |
| 18 (CH3) | 20 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 22.8 |
| 13a (C) | 169.6 |
| 13b (CH3) | 20.9 |
| 14a (C) | 169 |
| 14b (CH3) | 21.1 |
