Spektraris NMR
Excavatolide G
Common Name: Excavatolide G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-13-9-10-20(35-16(4)30)26(7)21(36-17(5)31)12-19(34-15(3)29)14(2)23(26)24(37-18(6)32)28-22(11-13)38-25(33)27(28,8)39-28/h11,14,19-24H,9-10,12H2,1-8H3/b13-11-/t14-,19-,20-,21-,22-,23+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=WRYYYJGXEFMEDX-MABQFIHFSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Wang, G.H., Lin, S.F., Duh, C.Y., Sheu, J.H. J Nat Prod (1999) 62, 457-63
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) | 45.8 |
| 2 (CH) | 75 |
| 3 (CH2) | 28.6 |
| 4 (CH2) | 26 |
| 5 (C) | 144.9 |
| 6 (CH) | 118.4 |
| 7 (CH) | 74.7 |
| 8 (C) | 70.8 |
| 9 (CH) | 73.6 |
| 10 (CH) | 41.1 |
| 11 (CH) | 29.7 |
| 12 (CH) | 69.7 |
| 13 (CH2) | 31.7 |
| 14 (CH) | 75.6 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 27.3 |
| 17 (C) | 64.9 |
| 18 (CH3) | 9.9 |
| 19 (C) | 170.6 |
| 20 (CH3) | 11.1 |
| 2a (C) | 168.1 |
| 2b (CH3) | 21.1 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.3 |
| 12a (C) | 170.3 |
| 12b (CH3) | 21.4 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.5 |
