Spektraris NMR
Pachyclavulide A
Common Name: Pachyclavulide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O10/c1-12-8-9-19(33-15(4)27)25(7)20(34-16(5)28)11-18(30)13(2)22(25)23(35-17(6)29)26(32)14(3)24(31)36-21(26)10-12/h10,13-14,18-23,30,32H,8-9,11H2,1-7H3/b12-10-/t13-,14-,18-,19-,20-,21-,22+,23-,25-,26-/m0/s1
InChIKey: InChIKey=VGLTWELLKWMPEH-BPQHGFKUSA-N
Formula: C26H38O10
Molecular Weight: 510.574931
Exact Mass: 510.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwasaki, J., Ito, H., Aoyagi, M., Sato, Y., Iguchi, K. J Nat Prod (2006) 69, 2-6
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) | 45.3 |
| 2 (CH) | 76 |
| 3 (CH2) | 31.1 |
| 4 (CH2) | 28.8 |
| 5 (C) | 146.8 |
| 6 (CH) | 117.7 |
| 7 (CH) | 79 |
| 8 (C) | 82 |
| 9 (CH) | 75.3 |
| 10 (CH) | 37.9 |
| 11 (CH) | 44.2 |
| 12 (CH) | 66.9 |
| 13 (CH2) | 28.9 |
| 14 (CH) | 77.2 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 27.6 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 6.5 |
| 19 (C) | 177 |
| 20 (CH3) | 9 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.4 |
| 9a (C) | 169 |
| 9b (CH3) | 21.7 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.2 |
