Spektraris NMR
Trigonochinenes D
Common Name: Trigonochinenes D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O4/c1-7-14-13(4)16(22)11-17-20(5,9-8-19(23)24-6)15(12(2)3)10-18-21(14,17)25-18/h7,11,15,18H,1-2,8-10H2,3-6H3/t15-,18+,20-,21-/m1/s1
InChIKey: InChIKey=OLVDZXLYEJAWNY-NSGGIEJNSA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
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) | 34.6 |
| 2 (CH2) | 29.6 |
| 3 (C) | 173.9 |
| 4 (C) | 145.3 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 63.2 |
| 8 (C) | 57 |
| 9 (C) | 159.1 |
| 10 (C) | 42 |
| 11 (CH) | 131.4 |
| 12 (C) | 186.3 |
| 13 (C) | 136.2 |
| 14 (C) | 148.3 |
| 15 (CH) | 130 |
| 16 (CH2) | 123.6 |
| 17 (CH3) | 13 |
| 18 (CH3) | 22.1 |
| 19 (CH2) | 114.9 |
| 20 (CH3) | 24.9 |
| 3a (CH3) | 51.6 |
