Spektraris NMR
Comnostin E
Common Name: Comnostin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-16-10-12-26(4)22-9-7-20(17(2)28)25(22,3)13-11-23(26)27(16,5)15-19-14-18(24(30)31)6-8-21(19)29/h6,8,14,16,20,22-23,29H,7,9-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23+,25+,26-,27-/m1/s1
InChIKey: InChIKey=PCLWWUDFTVTRTJ-BQSYPKQUSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jaki, B., Orjala, J., Heilmann, J., Linden, A., Vogler, B., Sticher, O. J Nat Prod (2000) 63, 339-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 20.1 |
| 2 (CH2) | 37.6 |
| 3 (CH) | 51.6 |
| 4 (C) | 40.7 |
| 5 (CH2) | 37.2 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 51.6 |
| 8 (C) | 38.7 |
| 9 (CH) | 51.6 |
| 10 (CH2) | 40.5 |
| 11 (CH2) | 28.5 |
| 12 (CH) | 37 |
| 13 (C) | 42.7 |
| 14 (CH2) | 37.9 |
| 15 (C) | 127.8 |
| 16 (CH) | 136 |
| 17 (C) | 122.2 |
| 18 (CH) | 130.4 |
| 19 (CH) | 115.5 |
| 20 (C) | 162.1 |
| 21 (CH3) | 24 |
| 22 (C) | 226.7 |
| 23 (CH3) | 13.7 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 18.3 |
| 27 (C) | 171.2 |
