Spektraris NMR
Maoecrystal L
Common Name: Maoecrystal L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-12-14-5-6-16-21(9-14,18(12)25)19(26)27-11-22(16)15(13(2)24)7-8-20(3,4)17(22)10-23/h10,12,14-17H,5-9,11H2,1-4H3/t12-,14+,15+,16+,17+,21-,22-/m0/s1
InChIKey: InChIKey=QSVGLIYHOBIZKP-YFZQUHJLSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Lin, Z.W., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 820-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trichorabales; 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 (CH) | 74.8 |
| 2 (CH2) | 24 |
| 3 (CH2) | 39.9 |
| 4 (C) | 34 |
| 5 (CH) | 61.8 |
| 6 (CH) | 2.2 |
| 7 (C) | 169.6 |
| 8 (C) | 58.7 |
| 9 (CH) | 43.3 |
| 10 (C) | 43.5 |
| 11 (CH2) | 17.2 |
| 12 (CH2) | 29.2 |
| 13 (CH) | 35.1 |
| 14 (CH2) | 28.4 |
| 15 (C) | 215.4 |
| 16 (CH) | 50.9 |
| 17 (CH3) | 16.7 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 24 |
| 20 (CH2) | 67.6 |
| 1a (C) | 21.3 |
| 1b (CH3) | 170.2 |
