Spektraris NMR
Briaexcavatolide A
Common Name: Briaexcavatolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O10/c1-12-10-18(32-14(3)27)21(33-15(4)28)24(6)9-8-17(30)13(2)20(24)22(34-16(5)29)26-19(11-12)35-23(31)25(26,7)36-26/h8-9,11,13,18-22H,10H2,1-7H3/b12-11-/t13-,18-,19-,20+,21-,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=YEKQCDVSIHXGFB-KTYRFISLSA-N
Formula: C26H32O10
Molecular Weight: 504.527287
Exact Mass: 504.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J., Sung, P., Su, J., Liu, H., Duh, C., Chiang, M.Y. Tetrahedron (1999) 55, 14555-64
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 (CH) | 81.5 |
| 3 (CH) | 71.9 |
| 4 (CH2) | 33.3 |
| 5 (C) | 139.3 |
| 6 (CH) | 123 |
| 7 (CH) | 73.6 |
| 8 (C) | 69.1 |
| 9 (CH) | 66.7 |
| 10 (CH) | 38.6 |
| 11 (CH) | 41.3 |
| 12 (C) | 200.9 |
| 13 (CH) | 126.1 |
| 14 (CH) | 155.2 |
| 15 (CH3) | 17 |
| 16 (CH3) | 21.7 |
| 17 (C) | 60 |
| 18 (CH3) | 10.1 |
| 19 (C) | 171.1 |
| 20 (CH3) | 14.2 |
| 2a (C) | 169 |
| 2b (CH3) | 21.2 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.7 |
| 9a (C) | 170.4 |
| 9b (CH3) | 22.6 |
