Spektraris NMR
Triptobenzene P
Common Name: Triptobenzene P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O2/c1-13(2)17-10-15-6-7-18-14(3)16(12-22)8-9-21(18,4)19(15)11-20(17)23-5/h10-11,13,16,18,22H,3,6-9,12H2,1-2,4-5H3/t16-,18-,21-/m0/s1
InChIKey: InChIKey=FOWPUUSGDVWLPM-MDKPJZGXSA-N
Formula: C21H30O2
Molecular Weight: 314.462486
Exact Mass: 314.22458
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Shen, Q., Yao, Z., Takaishi, Y., Zhang, Y.W., Duan, H.Q. Chin Chem Lett (2008) 19, 453-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bisabeoabietanes; 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) | 38.2 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 46.1 |
| 4 (C) | 150.9 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 24.4 |
| 8 (C) | 128.5 |
| 9 (C) | 146 |
| 10 (C) | 39.9 |
| 11 (CH) | 121.5 |
| 12 (C) | 154.9 |
| 13 (C) | 138.3 |
| 14 (CH) | 123.8 |
| 15 (CH) | 26.1 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 23.9 |
| 18 (CH2) | 104.4 |
| 19 (CH2) | 64.7 |
| 20 (CH3) | 22.8 |
| 12a (CH3) | 60.5 |
