Spektraris NMR
Trigonochinenes B
Common Name: Trigonochinenes B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey: InChIKey=ZFLNGJFWUHGMKC-HBGVWJBISA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yin, S., Su, Z.S., Zhou, Z.W., Dong, L., Yue, J.M. J Nat Prod (2008) 71, 1414-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 33.5 |
| 2 (CH2) | 29.1 |
| 3 (C) | 173.9 |
| 4 (C) | 145.4 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 38.6 |
| 8 (C) | 71.4 |
| 9 (C) | 165.4 |
| 10 (C) | 44.6 |
| 11 (CH) | 123.5 |
| 12 (C) | 187 |
| 13 (C) | 129.7 |
| 14 (C) | 156.4 |
| 15 (CH) | 132.2 |
| 16 (CH2) | 123.4 |
| 17 (CH3) | 12.2 |
| 18 (CH3) | 23.3 |
| 19 (CH2) | 115.1 |
| 20 (CH3) | 23 |
| 3a (CH3) | 51.7 |
