Spektraris NMR
12-Acetoxy-15,16-epoxy-17-hydroxymethyl-cis-cleroda-3,13(16),14-triene-18,6-olide
Common Name: 12-Acetoxy-15,16-epoxy-17-hydroxymethyl-cis-cleroda-3,13(16),14-triene-18,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-13(24)27-17(14-7-8-26-12-14)10-21(2)15(11-23)9-19-22(3)16(20(25)28-19)5-4-6-18(21)22/h5,7-8,12,15,17-19,23H,4,6,9-11H2,1-3H3/t15-,17?,18+,19-,21-,22+/m0/s1
InChIKey: InChIKey=OFVMNINMKJIMTH-VTSJQZKNSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Naβ, K., Becker, H. Phytochemistry (1998) 48, 681-5
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) | 31.9 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 135.2 |
| 4 (C) | 133 |
| 5 (C) | 37.5 |
| 6 (CH) | 79.5 |
| 7 (CH2) | 36.4 |
| 8 (CH) | 48.4 |
| 9 (C) | 43.8 |
| 10 (CH) | 46 |
| 11 (CH2) | 34 |
| 12 (CH) | 97.7 |
| 13 (C) | 124.4 |
| 14 (CH) | 108.9 |
| 15 (CH) | 144 |
| 16 (CH) | 141.6 |
| 17 (CH2) | 62.3 |
| 18 (C) | 169.5 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 22.9 |
| 12a (C) | 171 |
| 12b (CH3) | 21.8 |
