Spektraris NMR
Briarlide K
Common Name: Briarlide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O12/c1-8-9-18(31)39-20-13(2)12-17-28(27(7,40-28)24(34)38-17)23(37-15(4)30)21-25(5,22(33)19(20)32)11-10-16(26(21,6)35)36-14(3)29/h10-12,16-17,19-23,32-33,35H,8-9H2,1-7H3/b13-12-/t16-,17+,19-,20+,21-,22+,23+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=HKZAOIHUEQOLFS-RFRXESPKSA-N
Formula: C28H38O12
Molecular Weight: 566.595213
Exact Mass: 566.236327
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) | 48.6 |
| 2 (CH) | 76.2 |
| 3 (CH) | 70.9 |
| 4 (CH) | 74.6 |
| 5 (C) | 140.8 |
| 6 (CH) | 123.9 |
| 7 (CH) | 73.5 |
| 8 (C) | 71.5 |
| 9 (CH) | 65.1 |
| 10 (CH) | 44.7 |
| 11 (C) | 72.4 |
| 12 (CH) | 73.4 |
| 13 (CH) | 121 |
| 14 (CH) | 142.1 |
| 15 (CH3) | 14.1 |
| 16 (CH3) | 26 |
| 17 (C) | 64.8 |
| 18 (CH3) | 9.6 |
| 19 (C) | 170.3 |
| 20 (CH3) | 21.5 |
| 4a (C) | 173.5 |
| 4b (CH2) | 36.1 |
| 4c (CH2) | 18.4 |
| 4d (CH3) | 13.6 |
| 9a (C) | 168.3 |
| 9b (CH3) | 20.9 |
| 12a (C) | 169.6 |
| 12b (CH3) | 21.4 |
