Spektraris NMR
Pachyclavulide C
Common Name: Pachyclavulide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-14-8-10-21(36-17(4)30)27(7)22(37-18(5)31)11-9-20(13-35-16(3)29)12-23-28(34,15(2)26(33)39-23)25(24(14)27)38-19(6)32/h8-9,11-12,15,21-25,34H,10,13H2,1-7H3/b11-9-,20-12+/t15-,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=BTINDMSRMIILMM-IKMUEXBSSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
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) | 43.4 |
| 2 (CH) | 74.6 |
| 3 (CH) | 132.9 |
| 4 (CH) | 126.7 |
| 5 (C) | 141.6 |
| 6 (CH) | 120.8 |
| 7 (CH) | 79.7 |
| 8 (C) | 81.1 |
| 9 (CH) | 69.7 |
| 10 (CH) | 39.8 |
| 11 (C) | 133.8 |
| 12 (CH) | 120.8 |
| 13 (CH2) | 26.7 |
| 14 (CH) | 72.6 |
| 15 (CH3) | 14.8 |
| 16 (CH2) | 63.7 |
| 17 (CH) | 44.4 |
| 18 (CH3) | 7.5 |
| 19 (C) | 175.9 |
| 20 (CH3) | 24.5 |
| 2a (C) | 169.4 |
| 2b (CH3) | 21.2 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.6 |
| 14a (C) | 171.1 |
| 14b (CH3) | 21.3 |
| 16a (C) | 171.1 |
| 16b (CH3) | 21.3 |
