Spektraris NMR
Pachyclavulide H
Common Name: Pachyclavulide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/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/h8,12,15,21-25,34H,9-11,13H2,1-7H3/b20-12+/t15-,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=NGKKXRNDEPDKRK-GWZHTXLRSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
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) | 44.4 |
| 2 (CH) | 74.7 |
| 3 (CH2) | 31.7 |
| 4 (CH2) | 25.1 |
| 5 (C) | 143.7 |
| 6 (CH) | 117.3 |
| 7 (CH) | 78 |
| 8 (C) | 81.9 |
| 9 (CH) | 69.9 |
| 10 (CH) | 40.1 |
| 11 (C) | 134.3 |
| 12 (CH) | 120.7 |
| 13 (CH2) | 26.6 |
| 14 (CH) | 73.2 |
| 15 (CH3) | 14.2 |
| 16 (CH2) | 67.4 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 7 |
| 19 (C) | 176 |
| 20 (CH3) | 24.3 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21.1 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21.5 |
| 14a (C) | 171.3 |
| 14b (CH3) | 21.3 |
| 16a (C) | 170.4 |
| 16b (CH3) | 20.9 |
