Spektraris NMR
Benthaminin 1
Common Name: Benthaminin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/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/h8,11,14,16,18H,1,5-7,9-10,12H2,2-4H3/t14-,16-,18+,20+,21-/m0/s1
InChIKey: InChIKey=BITNDSYDSKLXKB-ZBWTVIFZSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
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) | 36.5 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 38.3 |
| 4 (C) | 47.4 |
| 5 (CH) | 49 |
| 6 (CH2) | 29.9 |
| 7 (CH2) | 22.4 |
| 8 (CH) | 52.1 |
| 9 (CH) | 36.2 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.8 |
| 12 (C) | 152.1 |
| 13 (C) | 118.8 |
| 14 (C) | 142.6 |
| 15 (CH) | 106.3 |
| 16 (CH) | 141.4 |
| 17 (CH2) | 103.9 |
| 18 (CH3) | 16.9 |
| 19 (C) | 179.3 |
| 20 (CH3) | 14.6 |
| 19a (CH3) | 52 |
