Spektraris NMR
Ballotenol
Common Name: Ballotenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=ACMWVFQSRHHUMC-WGRDYNQISA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Sticher, O., Calis, I., Linden, A. J Nat Prod (1997) 60, 874-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 35.4 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 40.3 |
| 4 (C) | 40.9 |
| 5 (CH) | 52.3 |
| 6 (CH) | 75.9 |
| 7 (C) | 213.5 |
| 8 (CH) | 46.6 |
| 9 (C) | 83.6 |
| 10 (C) | 45.1 |
| 11 (CH2) | 36.5 |
| 12 (CH2) | 22.6 |
| 13 (C) | 126.7 |
| 14 (CH) | 111.7 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.7 |
| 17 (CH3) | 8.6 |
| 18 (CH3) | 28.2 |
| 19 (CH2) | 68 |
| 20 (CH3) | 20.5 |
