Spektraris NMR
Briaexcavatolide K
Common Name: Briaexcavatolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O13/c1-12-9-19(37-14(3)29)23(39-16(5)31)26(7)20(38-15(4)30)11-18(33)13(2)22(26)24(40-17(6)32)28(36)21(10-12)41-25(34)27(28,8)35/h10,13,18-24,33,35-36H,9,11H2,1-8H3/b12-10-/t13-,18-,19-,20-,21-,22+,23-,24-,26-,27-,28+/m0/s1
InChIKey: InChIKey=ZHECUSALRKIRAJ-MCONUBRWSA-N
Formula: C28H40O13
Molecular Weight: 584.610499
Exact Mass: 584.246891
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Duh, C.Y., Chiang, M.Y., Sheu, J.H. J Nat Prod (2001) 64, 318-23
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) | 42.7 |
| 2 (CH) | 72.8 |
| 3 (CH) | 73.4 |
| 4 (CH2) | 32.9 |
| 5 (C) | 141.9 |
| 6 (CH) | 125.1 |
| 7 (CH) | 85.4 |
| 8 (C) | 81.1 |
| 9 (CH) | 65.1 |
| 10 (CH) | 43.8 |
| 11 (CH) | 37 |
| 12 (CH) | 69.8 |
| 13 (CH2) | 34.5 |
| 14 (CH) | 74.3 |
| 15 (CH3) | 20 |
| 16 (CH3) | 22.7 |
| 17 (C) | 76.9 |
| 18 (CH3) | 16.6 |
| 19 (C) | 176.1 |
| 20 (CH3) | 15.5 |
| 2a (C) | 170.7 |
| 2b (CH3) | 22 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21 |
| 14a (C) | 169.4 |
| 14b (CH3) | 20.8 |
