Spektraris NMR
Trigonochinenes C
Common Name: Trigonochinenes C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/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)26-24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey: InChIKey=OONMQCVQEOUVNN-HBGVWJBISA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
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) | 33.7 |
| 2 (CH2) | 29 |
| 3 (C) | 174.1 |
| 4 (C) | 145 |
| 5 (CH) | 55 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 37.7 |
| 8 (C) | 82.9 |
| 9 (C) | 162.5 |
| 10 (C) | 44.6 |
| 11 (CH) | 126.5 |
| 12 (C) | 186.6 |
| 13 (C) | 133.6 |
| 14 (C) | 152.4 |
| 15 (CH) | 131.9 |
| 16 (CH2) | 123.3 |
| 17 (CH3) | 12.4 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 115.3 |
| 20 (CH3) | 20.1 |
| 3a (CH3) | 51.8 |
