Spektraris NMR
Briarlide Q
Common Name: Briarlide Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O12/c1-9-10-11-12-13-14-25(38)45-27-19(3)17-24-34(33(8,46-34)31(40)44-24)30(43-22(6)37)26-18(2)15-16-23(41-20(4)35)32(26,7)29(39)28(27)42-21(5)36/h15,17,23-24,26-30,39H,9-14,16H2,1-8H3/b19-17-/t23-,24-,26+,27-,28+,29-,30-,32-,33-,34-/m0/s1
InChIKey: InChIKey=MXIGBACWPUOFKT-CFVPCGMFSA-N
Formula: C34H48O12
Molecular Weight: 648.739036
Exact Mass: 648.314577
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) | 45.7 |
| 2 (CH) | 72.2 |
| 3 (CH) | 72.2 |
| 4 (CH) | 76.5 |
| 5 (C) | 141 |
| 6 (CH) | 123.7 |
| 7 (CH) | 73.8 |
| 8 (C) | 71 |
| 9 (CH) | 67.6 |
| 10 (CH) | 45.1 |
| 11 (C) | 133.3 |
| 12 (CH) | 121.2 |
| 13 (CH2) | 26.2 |
| 14 (CH) | 74.1 |
| 15 (CH3) | 13.1 |
| 16 (CH3) | 25.2 |
| 17 (C) | 64.1 |
| 18 (CH3) | 9.9 |
| 19 (C) | 170.8 |
| 20 (CH3) | 24.5 |
| 3a (C) | 168.4 |
| 3b (CH3) | 21 |
| 4a (C) | 173.2 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 31.6 |
| 4d (CH2) | 29 |
| 4e (CH2) | 28.9 |
| 4f (CH2) | 24.7 |
| 4g (CH2) | 22.6 |
| 4h (CH3) | 14.1 |
| 9a (C) | 170 |
| 9b (CH3) | 21.1 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.2 |
