Spektraris NMR
Briaexcavatolide X
Common Name: Briaexcavatolide X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O13/c1-10-16-20(37-13(4)29)26-21(38-22(33)25(26,7)39-26)18(32)24(6,34)9-15(35-11(2)27)19(36-12(3)28)23(16,5)8-14(30)17(10)31/h8,10,15-16,18-21,30,32,34H,9H2,1-7H3/t10-,15+,16-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
InChIKey: InChIKey=JXXXHGLERUYQGD-PYZWZNTJSA-N
Formula: C26H34O13
Molecular Weight: 554.541383
Exact Mass: 554.199941
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Hu, W., Wu, S., Su, J., Fang, L., Wang, J., Sheu, J. Tetrahedron (2004) 60, 8975-9
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) | 45.6 |
| 2 (CH) | 80 |
| 3 (CH) | 70.6 |
| 4 (CH2) | 38.2 |
| 5 (C) | 59.3 |
| 6 (CH) | 62.7 |
| 7 (CH) | 76.4 |
| 8 (C) | 68.7 |
| 9 (CH) | 65.8 |
| 10 (CH) | 39.7 |
| 11 (CH) | 42.6 |
| 12 (C) | 193.1 |
| 13 (C) | 130 |
| 14 (CH) | 150.2 |
| 15 (CH3) | 17.5 |
| 16 (CH3) | 21.6 |
| 17 (C) | 60.1 |
| 18 (CH3) | 10.4 |
| 19 (C) | 170.1 |
| 20 (CH3) | 14.5 |
| 2a (C) | 168.8 |
| 2b (CH3) | 21.7 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.4 |
| 9a (C) | 170.1 |
| 9b (CH3) | 20.9 |
