Spektraris NMR
rel-(3R,4S,5R,7R,8S,9R,10S,12R,20S)-7-acetoxy-15,16,12,20-diepoxy-3,4,20-trihydroxyneocleroda-13(16),14-diene
Common Name: rel-(3R,4S,5R,7R,8S,9R,10S,12R,20S)-7-acetoxy-15,16,12,20-diepoxy-3,4,20-trihydroxyneocleroda-13(16),14-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-12-15(28-13(2)23)9-20(3)17(5-6-18(24)21(20,4)26)22(12)10-16(29-19(22)25)14-7-8-27-11-14/h7-8,11-12,15-19,24-26H,5-6,9-10H2,1-4H3/t12-,15-,16-,17+,18-,19+,20-,21-,22-/m1/s1
InChIKey: InChIKey=GZVVOAJUBYETCL-YRNOAYDYSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Vigor, C., Fabre, N., Fouraste, I., Moulis, C. J Nat Prod (2002) 65, 1180-2
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) | 19.5 |
| 2 (CH2) | 30.8 |
| 3 (CH) | 77.9 |
| 4 (C) | 75.4 |
| 5 (C) | 41.4 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 76.3 |
| 8 (CH) | 45.3 |
| 9 (C) | 54 |
| 10 (CH) | 45.3 |
| 11 (CH2) | 44.5 |
| 12 (CH) | 71.6 |
| 13 (C) | 130.6 |
| 14 (CH) | 109.9 |
| 15 (CH) | 143 |
| 16 (CH) | 139.7 |
| 17 (CH3) | 14.6 |
| 18 (CH3) | 20 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 100.7 |
| 7a (C) | 171.3 |
| 7b (CH3) | 20.3 |
