Spektraris NMR
Briaexcavatolide S
Common Name: Briaexcavatolide S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-12-10-19-26(25(7,37-26)22(31)36-19)21(35-15(4)29)20-23(5,17(30)11-16(12)33-13(2)27)9-8-18(24(20,6)32)34-14(3)28/h8-10,16-21,30,32H,11H2,1-7H3/b12-10-/t16-,17+,18+,19+,20-,21+,23-,24+,25-,26+/m1/s1
InChIKey: InChIKey=BWZBXZLDFBCKQZ-RXLKNBIVSA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - u S.L., Sung P.J., Su J.H., Sheu J.H. J Nat Prod (2003) 66, 1252-6
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) | 48 |
| 2 (CH) | 76.9 |
| 3 (CH2) | 41.9 |
| 4 (CH) | 74.3 |
| 5 (C) | 145.7 |
| 6 (CH) | 123.4 |
| 7 (CH) | 74.5 |
| 8 (C) | 71.4 |
| 9 (CH) | 67.3 |
| 10 (CH) | 45.7 |
| 11 (C) | 73.9 |
| 12 (CH) | 75.3 |
| 13 (CH) | 118.8 |
| 14 (CH) | 145.2 |
| 15 (CH3) | 17.6 |
| 16 (CH3) | 26.6 |
| 17 (C) | 63.7 |
| 18 (CH3) | 10.3 |
| 19 (C) | 172.1 |
| 20 (CH3) | 28.8 |
| 4a (C) | 170.7 |
| 4b (CH3) | 21.9 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.1 |
| 12a (C) | 169.4 |
| 12b (CH3) | 21 |
