Spektraris NMR
Acalycixeniolide I
Common Name: Acalycixeniolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-6-4-8-16(3)19-13-23-20(22)18(17(19)11-10-14)9-5-7-15(2)12-21/h6-7,17-19,21H,3-5,8-13H2,1-2H3/b14-6+,15-7+/t17-,18+,19+/m1/s1
InChIKey: InChIKey=LNLQRIXGNMRQCA-FYFUPCDPSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Rho, J.R., Oh, M.S., Jang, K.H., Cho, K.W., Shin, J. J Nat Prod (2001) 64, 540-3
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) | 154.4 |
| 2 (CH) | 51.3 |
| 3 (CH) | 45.9 |
| 4 (CH2) | 31.2 |
| 5 (CH2) | 40.9 |
| 6 (C) | 136.9 |
| 7 (CH) | 125.2 |
| 8 (CH2) | 26 |
| 9 (CH2) | 36.5 |
| 10 (CH) | 42.2 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 125.4 |
| 14 (C) | 137.1 |
| 15 (CH3) | 16.6 |
| 16 (CH2) | 68.7 |
| 17 (C) | 178.6 |
| 18 (CH2) | 71.7 |
| 19 (CH2) | 113.1 |
| 20 (CH3) | 13.9 |
