Spektraris NMR
1b-Acetoxy- 12-hydroxy- 15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,16-olide
Common Name: 1b-Acetoxy- 12-hydroxy- 15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-12-9-18-22(4)15(20(25)28-18)5-6-17(27-13(2)23)19(22)21(12,3)10-16(24)14-7-8-26-11-14/h5,7-8,11-12,16-19,24H,6,9-10H2,1-4H3/t12-,16?,17-,18+,19-,21+,22+/m1/s1
InChIKey: InChIKey=GQTGCCJNUZMUFS-OMEVFBTMSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Zapp, J., Becker, H. Phytochemistry (1995) 39, 859-68
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 (CH) | 68.7 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 131.6 |
| 4 (C) | 134.2 |
| 5 (C) | 39 |
| 6 (CH) | 85.5 |
| 7 (CH2) | 34.6 |
| 8 (CH) | 31.4 |
| 9 (C) | 38.3 |
| 10 (CH) | 47.9 |
| 11 (CH2) | 44.6 |
| 12 (CH) | 63.9 |
| 13 (C) | 130.7 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.4 |
| 16 (CH) | 138.1 |
| 17 (CH3) | 15.5 |
| 18 (C) | 169 |
| 19 (CH3) | 30 |
| 20 (CH3) | 16.7 |
| 1a (C) | 171.4 |
| 1b (CH3) | 21.6 |
