Spektraris NMR
12-Acetylexcavatolide E
Common Name: 12-Acetylexcavatolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-12-8-9-18(33-15(4)28)24(6)19(34-16(5)29)11-17(32-14(3)27)13(2)21(24)22(30)26-20(10-12)35-23(31)25(26,7)36-26/h10,13,17-22,30H,8-9,11H2,1-7H3/b12-10-/t13-,17-,18-,19-,20-,21+,22-,24-,25-,26-/m0/s1
InChIKey: InChIKey=ANORPAFMDAXJBH-FNRSQXSASA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
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) | 45.99 |
| 2 (CH) | 75.28 |
| 3 (CH2) | 28.56 |
| 4 (CH2) | 26.05 |
| 5 (C) | 145.57 |
| 6 (CH) | 117.8 |
| 7 (CH) | 75.75 |
| 8 (C) | 71.9 |
| 9 (CH) | 75.95 |
| 10 (CH) | 41.43 |
| 11 (CH) | 29.68 |
| 12 (CH) | 70.14 |
| 13 (CH2) | 31.78 |
| 14 (CH) | 75.16 |
| 15 (CH3) | 14.17 |
| 16 (CH3) | 27.07 |
| 17 (C) | 63.44 |
| 18 (CH3) | 10.26 |
| 19 (C) | 172.41 |
| 20 (CH3) | 15.4 |
| 2a (C) | 170.21 |
| 2b (CH3) | 21.05 |
| 12a (C) | 171.36 |
| 12b (CH3) | 21.26 |
| 14a (C) | 170.84 |
| 14b (CH3) | 21.5 |
