Spektraris NMR
Triptobenzene O
Common Name: Triptobenzene O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-19(2,25-5)15-8-7-14-13(18(15)24)6-9-16-20(14,3)11-10-17(23)21(16,4)12-22/h7-8,16,22,24H,6,9-12H2,1-5H3/t16-,20-,21-/m1/s1
InChIKey: InChIKey=HDOLTIKEXDYBAN-MAODMQOUSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Ooba, N., Duan, H., Takaishi, Y., Nakanishi, Y., Bastow, K., Lee, K.H. Phytochemistry (2004) 65, 2071-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : 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) | 37.3 |
| 2 (CH2) | 35 |
| 3 (C) | 220.7 |
| 4 (C) | 51 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 24.8 |
| 8 (C) | 123 |
| 9 (C) | 147.8 |
| 10 (C) | 37 |
| 11 (CH) | 116.3 |
| 12 (CH) | 124.2 |
| 13 (C) | 124.5 |
| 14 (C) | 152.9 |
| 15 (C) | 80.1 |
| 16 (CH3) | 26.3 |
| 17 (CH3) | 26.6 |
| 18 (CH3) | 22.2 |
| 19 (CH2) | 65.8 |
| 20 (CH3) | 25.6 |
| 15a (CH3) | 50.9 |
