Spektraris NMR
terretonin A
Common Name: terretonin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m1/s1
InChIKey: InChIKey=GTEJJXOFLPCZGJ-DOFPOEDPSA-N
Formula: C26H32O8
Molecular Weight: 472.528477
Exact Mass: 472.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, G.Y., Li, B.G., Yang, T., Yin, J.H., Qi, H.Y., Liu, G.Y., Zhang, G.L. J Nat Prod (2005) 68, 1243-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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 (CH2) | 34.3 |
| 2 (CH2) | 32.6 |
| 3 (C) | 213.8 |
| 4 (C) | 47.9 |
| 5 (C) | 137.2 |
| 6 (C) | 139 |
| 7 (C) | 197.9 |
| 8 (C) | 45.8 |
| 9 (CH) | 52.9 |
| 10 (C) | 38.2 |
| 11 (CH2) | 29.1 |
| 12 (C) | 143 |
| 13 (C) | 50.5 |
| 14 (CH) | 49.1 |
| 15 (C) | 166.9 |
| 16 (C) | 85.9 |
| 17 (CH3) | 22 |
| 18 (C) | 168.4 |
| 19 (CH2) | 112.1 |
| 20 (CH3) | 23.7 |
| 21 (CH3) | 20.9 |
| 22 (CH3) | 16.8 |
| 23 (CH3) | 16.5 |
| 24 (C) | 201.3 |
| 25 (CH3) | 23.5 |
| 18a (CH3) | 53.7 |
