Spektraris NMR
Montanin D
Common Name: Montanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-18(20,10-21)5-2-3-15(20)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,16+,18?,19-,20?/m1/s1
InChIKey: InChIKey=BWDPEGUHIBSSSY-PGVVJKCFSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
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) | 16.5 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 29.6 |
| 4 (C) | 88 |
| 5 (C) | 47.1 |
| 6 (CH) | 69.3 |
| 7 (CH2) | 32.7 |
| 8 (CH) | 31.7 |
| 9 (C) | 51.8 |
| 10 (CH) | 37.6 |
| 11 (CH2) | 41.3 |
| 12 (CH) | 71.9 |
| 13 (C) | 124.7 |
| 14 (CH) | 107.7 |
| 15 (CH) | 143.7 |
| 16 (CH) | 139.2 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 66 |
| 19 (CH2) | 71.4 |
| 20 (C) | 177.6 |
