Spektraris NMR
Briarlide N
Common Name: Briarlide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O12/c1-13-11-21-28(27(8,40-28)24(33)39-21)23(38-17(5)32)22-25(6,10-9-19(26(22,7)34)36-15(3)30)20(37-16(4)31)12-18(13)35-14(2)29/h9-11,18-23,34H,12H2,1-8H3/b13-11-/t18-,19-,20+,21+,22-,23+,25-,26-,27+,28+/m1/s1
InChIKey: InChIKey=RDXNMECBXYRNLM-GMSKEGIOSA-N
Formula: C28H36O12
Molecular Weight: 564.579331
Exact Mass: 564.220677
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. J Nat Prod (2005) 68, 31-5
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) | 46.9 |
| 2 (CH) | 77.6 |
| 3 (CH2) | 38.5 |
| 4 (CH) | 72 |
| 5 (C) | 144.7 |
| 6 (CH) | 122.8 |
| 7 (CH) | 73.5 |
| 8 (C) | 71.2 |
| 9 (CH) | 65.3 |
| 10 (CH) | 43.8 |
| 11 (C) | 72.5 |
| 12 (CH) | 73.2 |
| 13 (CH) | 122.6 |
| 14 (CH) | 140.5 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 25.7 |
| 17 (C) | 64.7 |
| 18 (CH3) | 9.6 |
| 19 (C) | 170.4 |
| 20 (CH3) | 21.2 |
| 2a (C) | 168.2 |
| 2b (CH3) | 20.9 |
| 4a (C) | 169.8 |
| 4b (CH3) | 21 |
| 9a (C) | 170 |
| 9b (CH3) | 21 |
| 12a (C) | 170 |
| 12b (CH3) | 21.6 |
