Spektraris NMR
Tsugicoline E
Common Name: Tsugicoline E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O9/c1-11(24)29-17-15-8-20(5,6)9-16(15)21(7)18-22(17,31-13(3)26)10-28-23(18,32-14(4)27)19(21)30-12(2)25/h15-19H,8-10H2,1-7H3/t15-,16+,17+,18?,19+,21-,22-,23-/m1/s1
InChIKey: InChIKey=KFRJPKRWHKWMCL-OEPKHXQXSA-N
Formula: C23H32O9
Molecular Weight: 452.495674
Exact Mass: 452.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arnone, A., De Gregorio, C., Meille, S.V., Nasini, G., Sidoti, G. J Nat Prod (1999) 62, 51-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Protoilludanes; 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) | 42.5 |
| 2 (CH) | 42.9 |
| 3 (C) | 35.3 |
| 4 (CH) | 77.4 |
| 5 (C) | 107.3 |
| 6 (CH) | 54.6 |
| 7 (C) | 87.1 |
| 8 (CH) | 70.7 |
| 9 (CH) | 46.9 |
| 10 (CH2) | 40.7 |
| 11 (C) | 37.5 |
| 12 (CH3) | 32.2 |
| 13 (CH3) | 32.6 |
| 14 (CH2) | 75.8 |
| 15 (CH3) | 19.8 |
| 4a (C) | 170.8 |
| 4b (CH3) | 21.8 |
| 5a (C) | 170.7 |
| 5b (CH3) | 21.3 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.1 |
| 8a (C) | 168.6 |
| 8b (CH3) | 20.8 |
