Spektraris NMR
Leucosesterlactone
Common Name: Leucosesterlactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-13-7-9-17-16(4)25(29)19(12-23(5,6)31-25)24(28,21(13)17)22(27)14(2)8-10-18-15(3)11-20(26)30-18/h11-14,16-18,21,28-29H,7-10H2,1-6H3/t13-,14+,16-,17-,18-,21+,24-,25-/m1/s1
InChIKey: InChIKey=CZSWARCYWCYVPW-SHWZWCJUSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., R.Ranjit, Atta ur, R., Hussain, S., Devkota, K.P., Shrestha, T.M., Parvez, M. Org Lett (2004) 6, 4139-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 (CH3) | 21 |
| 2 (C) | 69.2 |
| 3 (CH) | 123.4 |
| 4 (C) | 157.9 |
| 5 (C) | 94 |
| 6 (CH) | 45.1 |
| 7 (CH) | 47.8 |
| 8 (CH2) | 30.2 |
| 9 (CH2) | 32.3 |
| 10 (CH) | 33.2 |
| 11 (CH) | 61.5 |
| 12 (C) | 87.1 |
| 13 (C) | 211 |
| 14 (CH) | 38.6 |
| 15 (CH2) | 30 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 86.9 |
| 18 (C) | 172.3 |
| 19 (CH) | 117.1 |
| 20 (C) | 175.8 |
| 21 (CH3) | 28.2 |
| 22 (CH3) | 13.2 |
| 23 (CH3) | 20.6 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 13.9 |
