Spektraris NMR
Triptinin-A
Common Name: Triptinin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
InChIKey: InChIKey=UAEUNTXALQHLMF-UWJYYQICSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.G., Ikekawa, T., Ohkawa, M., Yokota, I., Hara, N., Fujimoto, Y. Phytochemistry (1997) 44, 1511-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 34.1 |
| 2 (CH2) | 26.3 |
| 3 (C) | 131.4 |
| 4 (C) | 133 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 27.3 |
| 8 (C) | 129.5 |
| 9 (C) | 147.8 |
| 10 (C) | 37.1 |
| 11 (CH) | 121.3 |
| 12 (CH) | 124.5 |
| 13 (C) | 139.3 |
| 14 (C) | 156.4 |
| 15 (CH) | 24.9 |
| 16 (CH3) | 24.3 |
| 17 (CH3) | 24.2 |
| 18 (CH3) | 18.3 |
| 19 (C) | 173.7 |
| 20 (CH3) | 21.3 |
| 14a (CH3) | 60.9 |
