Spektraris NMR
Briaexcavatolide Y
Common Name: Briaexcavatolide Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O12/c1-11-15(30)8-9-23(5)17(11)20(36-14(4)29)26-21(37-22(32)25(26,7)38-26)18(31)24(6,33)10-16(34-12(2)27)19(23)35-13(3)28/h8-9,11,16-21,31,33H,10H2,1-7H3/t11-,16-,17+,18+,19-,20-,21-,23-,24+,25+,26+/m0/s1
InChIKey: InChIKey=JINIDMQIOFBRAD-GRWDJFJESA-N
Formula: C26H34O12
Molecular Weight: 538.541978
Exact Mass: 538.205027
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) | 43.2 |
| 2 (CH) | 80.6 |
| 3 (CH) | 70.7 |
| 4 (CH2) | 33.2 |
| 5 (C) | 59.4 |
| 6 (CH) | 62.7 |
| 7 (CH) | 76.4 |
| 8 (C) | 68.8 |
| 9 (CH) | 66.2 |
| 10 (CH) | 41.8 |
| 11 (CH) | 40 |
| 12 (C) | 200.7 |
| 13 (CH) | 126.4 |
| 14 (CH) | 154.5 |
| 15 (CH3) | 17.5 |
| 16 (CH3) | 21 |
| 17 (C) | 59.8 |
| 18 (CH3) | 10.4 |
| 19 (C) | 170.3 |
| 20 (CH3) | 14.5 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21.5 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.7 |
| 9a (C) | 168.9 |
| 9b (CH3) | 21.8 |
