Spektraris NMR
Pachyclavulide G
Common Name: Pachyclavulide G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O12/c1-13-8-9-21(37-16(4)30)27(7)22(38-17(5)31)11-20(33)19(12-36-15(3)29)10-23-28(35,14(2)26(34)40-23)25(24(13)27)39-18(6)32/h8,10,14,20-25,33,35H,9,11-12H2,1-7H3/b19-10-/t14-,20+,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=UKVUSKLIIOMDHJ-JKRPSWISSA-N
Formula: C28H38O12
Molecular Weight: 566.595213
Exact Mass: 566.236327
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, H., Iwasaki, J., Sato, Y., Aoyagi, M., Iguchi, K., Yamori, T. Chem Pharm Bull (2007) 55, 1671-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 44.6 |
| 2 (CH) | 73.9 |
| 3 (CH2) | 40.3 |
| 4 (CH) | 66.8 |
| 5 (C) | 144 |
| 6 (CH) | 123.6 |
| 7 (CH) | 79.2 |
| 8 (C) | 81.8 |
| 9 (CH) | 69.5 |
| 10 (CH) | 39.7 |
| 11 (C) | 135.2 |
| 12 (CH) | 119.9 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 73.3 |
| 15 (CH3) | 14.3 |
| 16 (CH2) | 67 |
| 17 (CH) | 43.8 |
| 18 (CH3) | 6.7 |
| 19 (C) | 178.9 |
| 20 (CH3) | 24.4 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.2 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.6 |
| 14a (C) | 171.2 |
| 14b (CH3) | 21.3 |
| 16a (C) | 172.2 |
| 16b (CH3) | 21.3 |
