Spektraris NMR
Montanin E
Common Name: Montanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-12-7-16(23)20(11-22)15(3-2-5-18(20,25)10-21)19(12)8-14(27-17(19)24)13-4-6-26-9-13/h4,6,9,12,14-16,21-23,25H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,16-,18-,19-,20+/m1/s1
InChIKey: InChIKey=HIYFFAFPIZXJIY-HPQWIRMFSA-N
Formula: C20H28O7
Molecular Weight: 380.432894
Exact Mass: 380.183503
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Deng, Y., Peng, S.L., Zhang, Q., Liao, X., Ding, L.S. Helv Chim Acta (2002) 85, 2547-52
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) | 22 |
| 2 (CH2) | 23.1 |
| 3 (CH2) | 31.1 |
| 4 (C) | 78.6 |
| 5 (C) | 47.2 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 35.4 |
| 8 (CH) | 32.7 |
| 9 (C) | 52.8 |
| 10 (CH) | 43.7 |
| 11 (CH2) | 46.2 |
| 12 (CH) | 72.1 |
| 13 (C) | 126.7 |
| 14 (CH) | 109 |
| 15 (CH) | 144.7 |
| 16 (CH) | 140.4 |
| 17 (CH3) | 17 |
| 18 (CH2) | 68 |
| 19 (CH2) | 60.1 |
| 20 (C) | 178.9 |
