Spektraris NMR
seco-Sethukarailin
Common Name: seco-Sethukarailin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-14(2)18(9-8-17(10-15(3)24)21(26)28-5)13-23(30-7)20(22(27)29-6)12-19(31-23)11-16(4)25/h8,11-12,18H,1,9-10,13H2,2-7H3/b17-8+,19-11-/t18-,23+/m0/s1
InChIKey: InChIKey=DLDHIXFQQWPAHV-DBMFJDGMSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reddy, N.S., Goud, T.V., Venkateswarlu, Y. J Nat Prod (2002) 65, 1059-60
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) | 41.2 |
| 2 (CH2) | 33.7 |
| 3 (C) | 117.6 |
| 4 (C) | 139.8 |
| 5 (CH) | 137.8 |
| 6 (C) | 160.9 |
| 7 (CH) | 105.8 |
| 8 (C) | 197.1 |
| 9 (CH3) | 30.7 |
| 10 (C) | 204.2 |
| 11 (CH2) | 41.5 |
| 12 (C) | 126.6 |
| 13 (CH) | 143.5 |
| 14 (CH2) | 37 |
| 15 (C) | 145.7 |
| 16 (CH2) | 113.3 |
| 17 (CH3) | 18.9 |
| 18 (C) | 167.3 |
| 19 (CH3) | 29.6 |
| 20 (C) | 162.4 |
| 3a (CH3) | 52.2 |
| 18a (CH3) | 52.8 |
| 20a (CH3) | 50.6 |
