Spektraris NMR
Tarapacol diacetate
Common Name: Tarapacol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O5/c1-16(25)27-15-20(28-17(2)26)24(7)14-10-19-22(5)12-8-11-21(3,4)18(22)9-13-23(19,6)29-24/h18-20H,8-15H2,1-7H3/t18-,19?,20?,22-,23+,24-/m0/s1
InChIKey: InChIKey=DDPNMLGNRUJAQD-LANVZWEKSA-N
Formula: C24H40O5
Molecular Weight: 408.572316
Exact Mass: 408.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, L., Fuentes, E.R., Hoffmann, J.J., Timmermann, B.N. Phytochemistry (1995) 40, 1201-7
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) | 38.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.2 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 20 |
| 7 (CH2) | 43.7 |
| 8 (C) | 75 |
| 9 (CH) | 56.6 |
| 10 (C) | 37.2 |
| 11 (CH2) | 14.4 |
| 12 (CH2) | 28.6 |
| 13 (C) | 73 |
| 14 (CH) | 76.7 |
| 15 (CH2) | 63.6 |
| 16 (CH3) | 26.4 |
| 17 (CH3) | 25.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 14.9 |
| 14a (C) | 171.3 |
| 14b (CH3) | 21.2 |
| 15a (C) | 170.7 |
| 15b (CH3) | 20.9 |
