Spektraris NMR
Limbatolide A
Common Name: Limbatolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-12-10-16-21(3)14(19(23)25-16)6-5-7-15(21)20(12,2)9-8-13-11-17(24-4)26-18(13)22/h6,11-12,15-17H,5,7-10H2,1-4H3/t12-,15-,16+,17?,20+,21-/m1/s1
InChIKey: InChIKey=CLPKJMFRRPJXHG-QEKNJDCFSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Khan, A., Farooq, U., Kousar, F., Khan, S.S., Nawaz, S.A., Abbasi, M.A., Choudhary, M.I. Chem Pharm Bull (2005) 53, 378-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 19.4 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 132.1 |
| 4 (C) | 140.3 |
| 5 (C) | 40.5 |
| 6 (CH) | 85.2 |
| 7 (CH2) | 30.3 |
| 8 (CH) | 37.5 |
| 9 (C) | 40.9 |
| 10 (CH) | 45.6 |
| 11 (CH2) | 37.8 |
| 12 (CH2) | 21.3 |
| 13 (C) | 139.7 |
| 14 (CH) | 142.3 |
| 15 (CH) | 100.8 |
| 16 (C) | 173.6 |
| 17 (CH3) | 15.9 |
| 18 (C) | 170.8 |
| 19 (CH3) | 31.7 |
| 20 (CH3) | 22.5 |
| 15a (CH3) | 55.7 |
