Spektraris NMR
Acalycixeniolide E
Common Name: Acalycixeniolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O6/c1-6-7-8-19(27-15(3)24)18-13-26-22(28-16(4)25)21-14(2)9-10-20-23(5,29-20)12-11-17(18)21/h7,13,17,19-22H,1-2,8-12H2,3-5H3/t17-,19?,20+,21+,22-,23+/m1/s1
InChIKey: InChIKey=AXCVWYLTRALNIP-KRZGZQLYSA-N
Formula: C23H30O6
Molecular Weight: 402.481578
Exact Mass: 402.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rho, J.R., Lee, H.S., Seo, Y., Cho, K.W., Shin, J. J Nat Prod (2000) 63, 254-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 148.4 |
| 2 (CH) | 47.5 |
| 3 (CH) | 36.6 |
| 4 (CH2) | 29.7 |
| 5 (CH2) | 39.6 |
| 6 (C) | 59.8 |
| 7 (CH) | 62.5 |
| 8 (CH2) | 24.5 |
| 9 (CH2) | 32.6 |
| 10 (C) | 115.2 |
| 11 (CH) | 73.8 |
| 12 (CH2) | 31.8 |
| 13 (CH) | 85.2 |
| 14 (C) | 209.4 |
| 15 (CH2) | 75.5 |
| 17 (CH) | 141.3 |
| 18 (CH) | 91.2 |
| 19 (CH2) | 114.7 |
| 20 (CH3) | 16.6 |
| 11a (C) | 169.4 |
| 11b (CH3) | 21 |
| 17a (C) | 170.1 |
| 17b (CH3) | 21.4 |
