Spektraris NMR
Benthaminin 1
Common Name: Benthaminin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3/t13-,14+,16+,18-,20-,21+/m1/s1
InChIKey: InChIKey=CKWZZMAZBSXPHZ-WVDARTDPSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dickson, R.A., Houghton, P.J., Hylands, P.J. Phytochemistry (2007) 68, 1436-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 36.9 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 38.6 |
| 4 (C) | 47.5 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 30.8 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 31.5 |
| 9 (CH) | 35.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22 |
| 12 (C) | 149.4 |
| 13 (C) | 122.5 |
| 14 (CH) | 49.6 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.4 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 17.1 |
| 19 (C) | 179.5 |
| 20 (CH3) | 14.7 |
| 19a (CH3) | 51.9 |
