Spektraris NMR
Excavatolide E
Common Name: Excavatolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O9/c1-11-7-8-16(30-13(3)25)22(5)17(31-14(4)26)10-15(27)12(2)19(22)20(28)24-18(9-11)32-21(29)23(24,6)33-24/h9,12,15-20,27-28H,7-8,10H2,1-6H3/b11-9-/t12-,15-,16-,17-,18-,19+,20-,22-,23+,24-/m0/s1
InChIKey: InChIKey=QXEZDNOGLRNMBN-MQPXMCAOSA-N
Formula: C24H34O9
Molecular Weight: 466.522292
Exact Mass: 466.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Cheng, M.C., Liu, H.Y., Fang, L.S., Duh, C.Y., Chiang, M.Y. J Nat Prod (1998) 61, 602-8
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) | 46.25 |
| 2 (CH) | 75.57 |
| 3 (CH2) | 29.27 |
| 4 (CH2) | 28.23 |
| 5 (C) | 144.94 |
| 6 (CH) | 119.12 |
| 7 (CH) | 75.69 |
| 8 (C) | 72.85 |
| 9 (CH) | 74.95 |
| 10 (CH) | 41.68 |
| 11 (CH) | 46.07 |
| 12 (CH) | 66.57 |
| 13 (CH2) | 31.88 |
| 14 (CH) | 76.44 |
| 15 (CH3) | 15.27 |
| 16 (CH3) | 27.18 |
| 17 (C) | 64.64 |
| 18 (CH3) | 10.47 |
| 19 (C) | 172.18 |
| 20 (CH3) | 9.76 |
| 2a (C) | 170.79 |
| 2b (CH3) | 21.3 |
| 14a (C) | 170.64 |
| 14b (CH3) | 21.7 |
