Spektraris NMR
Montanin A
Common Name: Montanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1
InChIKey: InChIKey=CZGWUKXZLUIKBU-IUYNRSMJSA-N
Formula: C19H20O4
Molecular Weight: 312.360417
Exact Mass: 312.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., Jimeno, M.L. Magn Reson Chem (2004) 42, 605-16
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) | 25.55 |
| 2 (CH2) | 23.85 |
| 3 (CH2) | 19.05 |
| 4 (C) | 119.65 |
| 5 (C) | 116.94 |
| 6 (C) | 147.88 |
| 7 (CH2) | 29.95 |
| 8 (CH) | 36.08 |
| 9 (C) | 50.69 |
| 10 (CH) | 43.19 |
| 11 (CH2) | 39.66 |
| 12 (CH) | 71.55 |
| 13 (C) | 125.48 |
| 14 (CH) | 108.06 |
| 15 (CH) | 144.07 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 17.72 |
| 18 (CH) | 136.13 |
| 20 (C) | 175.49 |
