Spektraris NMR
Tarapacol 15-acetate
Common Name: Tarapacol 15-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O4/c1-15(23)25-14-18(24)22(6)13-9-17-20(4)11-7-10-19(2,3)16(20)8-12-21(17,5)26-22/h16-18,24H,7-14H2,1-6H3/t16-,17?,18?,20-,21+,22-/m0/s1
InChIKey: InChIKey=WUALPRBWJZSIGL-YNIHJBQMSA-N
Formula: C22H38O4
Molecular Weight: 366.535558
Exact Mass: 366.27701
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) | 39 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 43.5 |
| 8 (C) | 73.7 |
| 9 (CH) | 56.4 |
| 10 (C) | 37 |
| 11 (CH2) | 14.8 |
| 12 (CH2) | 31.9 |
| 13 (C) | 76 |
| 14 (CH) | 73.8 |
| 15 (CH2) | 66.1 |
| 16 (CH3) | 24.6 |
| 17 (CH3) | 24.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 15.4 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21 |
