Spektraris NMR
Pachyclavulide B
Common Name: Pachyclavulide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-13-7-9-19(33-15(3)28)25(6)20(34-16(4)29)10-8-18(12-27)11-21-26(32,14(2)24(31)36-21)23(22(13)25)35-17(5)30/h7-8,10-11,14,19-23,27,32H,9,12H2,1-6H3/b10-8-,18-11+/t14-,19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey: InChIKey=SQSFPEZUZQUULH-PWZDRMAKSA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
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) | 43.5 |
| 2 (CH) | 76 |
| 3 (CH) | 131.8 |
| 4 (CH) | 128.6 |
| 5 (C) | 146.2 |
| 6 (CH) | 122.4 |
| 7 (CH) | 80 |
| 8 (C) | 81.1 |
| 9 (CH) | 69.8 |
| 10 (CH) | 39.7 |
| 11 (C) | 134 |
| 12 (CH) | 120.6 |
| 13 (CH2) | 26.6 |
| 14 (CH) | 72.8 |
| 15 (CH3) | 14.8 |
| 16 (CH2) | 63.9 |
| 17 (CH) | 44.4 |
| 18 (CH3) | 7.5 |
| 19 (C) | 177 |
| 20 (CH3) | 24.6 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.36 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.7 |
| 14a (C) | 169.8 |
| 14b (CH3) | 21.3 |
