Spektraris NMR
Sethukarailide
Common Name: Sethukarailide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O8/c1-12(2)15-6-7-23(27)20(29-14(4)24)19(31-22(23)26)9-13(3)8-16-11-17(21(25)28-5)18(10-15)30-16/h8,11,15,19-20,27H,1,6-7,9-10H2,2-5H3/b13-8+/t15-,19+,20+,23+/m0/s1
InChIKey: InChIKey=QLIZJLIWTZJOJS-UJFCRWFMSA-N
Formula: C23H28O8
Molecular Weight: 432.464506
Exact Mass: 432.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Venkateswarlu, Y., Sridevi, K.V., Rao, M.R. J Nat Prod (1999) 62, 756-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 43.8 |
| 2 (CH2) | 28.2 |
| 3 (C) | 160.9 |
| 4 (C) | 116 |
| 5 (CH) | 109.5 |
| 6 (C) | 149.4 |
| 7 (CH) | 148.5 |
| 8 (C) | 133.3 |
| 9 (CH2) | 43.2 |
| 10 (CH) | 78.4 |
| 11 (CH) | 75.7 |
| 12 (C) | 72.4 |
| 13 (CH2) | 31.8 |
| 14 (CH2) | 21.5 |
| 15 (C) | 146 |
| 16 (CH2) | 112.4 |
| 17 (CH3) | 20.8 |
| 18 (C) | 163.6 |
| 19 (CH3) | 18.9 |
| 20 (C) | 173.3 |
| 11a (C) | 169.4 |
| 11b (CH3) | 20.8 |
| 18a (CH3) | 51.5 |
