Spektraris NMR
Briaexcavatin A
Common Name: Briaexcavatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O14/c1-11-19-21(39-15(5)32)28-23(40-24(34)27(28,8)42-28)22-25(6,41-22)10-16(36-12(2)29)20(38-14(4)31)26(19,7)17(37-13(3)30)9-18(33)35-11/h11,16-17,19-23H,9-10H2,1-8H3/t11-,16+,17+,19-,20+,21+,22+,23+,25-,26+,27-,28-/m1/s1
InChIKey: InChIKey=CELXSEIYYIJXMO-BRAYLSGYSA-N
Formula: C28H36O14
Molecular Weight: 596.578141
Exact Mass: 596.210506
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Chao, C., Chen, Y., Su, J., Hu, W., Sheu, J. Tetrahedron Lett (2005) 47, 167-70
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) | 69.1 |
| 3 (CH) | 70.5 |
| 4 (CH2) | 33.9 |
| 5 (C) | 61.8 |
| 6 (CH) | 63.4 |
| 7 (CH) | 78.4 |
| 8 (C) | 72 |
| 9 (CH) | 67.7 |
| 10 (CH) | 47.9 |
| 11 (CH) | 71.5 |
| 12 (C) | 168.1 |
| 13 (CH2) | 37.2 |
| 14 (CH) | 72.3 |
| 15 (CH3) | 19.3 |
| 16 (CH3) | 21.7 |
| 17 (C) | 63.5 |
| 18 (CH3) | 10.6 |
| 19 (C) | 170.1 |
| 20 (CH3) | 20.5 |
| 2a (C) | 171.4 |
| 2b (CH3) | 21.1 |
| 3a (C) | 169.4 |
| 3b (CH3) | 20.9 |
| 9a (C) | 168.9 |
| 9b (CH3) | 20.9 |
| 14a (C) | 167.9 |
| 14b (CH3) | 20.9 |
