Spektraris NMR
Neoclerodan-5,10-en-19,6b;20,12-diolide
Common Name: Neoclerodan-5,10-en-19,6b;20,12-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-8-14-16-13(4-3-6-19(16,2)17(21)24-14)20(11)9-15(25-18(20)22)12-5-7-23-10-12/h5,7,10-11,14-15H,3-4,6,8-9H2,1-2H3/t11-,14-,15+,19+,20-/m1/s1
InChIKey: InChIKey=FEOANYGAJPRFDP-YPYHOGKESA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kapingu, M.C., Guillaume, D., Mbwambo, Z.H., Moshi, M.J., Uliso, F.C., Mahunnah, R.L. Phytochemistry (2000) 54, 767-70
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) | 26.8 |
| 2 (CH2) | 20.7 |
| 3 (CH2) | 28.3 |
| 4 (C) | 46.1 |
| 5 (C) | 141.1 |
| 6 (CH) | 75.3 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 35.6 |
| 9 (C) | 49.3 |
| 10 (C) | 133.5 |
| 11 (CH2) | 40 |
| 12 (CH) | 72.3 |
| 13 (C) | 125.5 |
| 14 (CH) | 107.9 |
| 15 (CH) | 139 |
| 16 (CH) | 144.2 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 15.5 |
| 19 (C) | 176.4 |
| 20 (C) | 176.5 |
