Spektraris NMR
2a-Hydroxydeacetylajugarin V
Common Name: 2a-Hydroxydeacetylajugarin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-6-16(22)19(3)15(8-14(21)9-20(19)11-25-20)18(12,2)5-4-13-7-17(23)24-10-13/h7,12,14-16,21-22H,4-6,8-11H2,1-3H3/t12-,14-,15-,16+,18+,19+,20+/m1/s1
InChIKey: InChIKey=NWWRMGWINPNNEM-LEAHJZPFSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Flores, E., Hernandezortega, S., Toscano, R.A. Phytochemistry (1995) 38, 175-9
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) | 30.6 |
| 2 (CH) | 68.8 |
| 3 (CH2) | 40.6 |
| 4 (C) | 67.2 |
| 5 (C) | 40.8 |
| 6 (CH) | 74.1 |
| 7 (CH2) | 33.9 |
| 8 (CH) | 34.6 |
| 9 (C) | 38.8 |
| 10 (CH) | 42.5 |
| 11 (CH2) | 34.9 |
| 12 (CH2) | 22.1 |
| 13 (C) | 170 |
| 14 (CH) | 115.4 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 52.9 |
| 19 (CH3) | 13.8 |
| 20 (CH3) | 17.9 |
