Spektraris NMR
Pachyclavulide I
Common Name: Pachyclavulide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O11/c1-13-10-19(31)23(36-16(4)29)26(6)20(35-15(3)28)9-8-18(12-34-7)11-21-27(33,14(2)25(32)38-21)24(22(13)26)37-17(5)30/h8-11,14,19-24,31,33H,12H2,1-7H3/b9-8-,18-11+/t14-,19+,20-,21-,22+,23-,24-,26+,27-/m0/s1
InChIKey: InChIKey=BPTNOPJYGTTXJM-HWFNYOLXSA-N
Formula: C27H36O11
Molecular Weight: 536.569191
Exact Mass: 536.225762
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) | 43 |
| 2 (CH) | 75.2 |
| 3 (CH) | 132.2 |
| 4 (CH) | 127.4 |
| 5 (C) | 144.5 |
| 6 (CH) | 120 |
| 7 (CH) | 79.8 |
| 8 (C) | 81.2 |
| 9 (CH) | 68.6 |
| 10 (CH) | 39.6 |
| 11 (C) | 138.4 |
| 12 (CH) | 123.2 |
| 13 (CH) | 66.2 |
| 14 (CH) | 76.3 |
| 15 (CH3) | 14.5 |
| 16 (CH2) | 72.3 |
| 17 (CH) | 44.4 |
| 18 (CH3) | 7.3 |
| 19 (C) | 175.7 |
| 20 (CH3) | 24.7 |
| 2a (C) | 169.5 |
| 2b (CH3) | 21.3 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.5 |
| 14a (C) | 170.7 |
| 14b (CH3) | 21.1 |
| 16a (CH3) | 58.6 |
