Spektraris NMR
Sinulaflexiolide E
Common Name: Sinulaflexiolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-14(20(25)27-6)16-7-10-21(3,26)17-8-11-22(4,29-17)18(28-15(2)24)9-12-23(5)19(13-16)30-23/h16-19,26H,1,7-13H2,2-6H3/t16-,17+,18+,19-,21-,22-,23+/m1/s1
InChIKey: InChIKey=AVJJAJDAJIWWOI-ADPKSTFZSA-N
Formula: C23H36O7
Molecular Weight: 424.528627
Exact Mass: 424.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 37.9 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 36 |
| 4 (C) | 73.8 |
| 5 (CH) | 87.8 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 36.3 |
| 8 (C) | 83.8 |
| 9 (CH) | 75.9 |
| 10 (CH2) | 24.5 |
| 11 (CH2) | 34.8 |
| 12 (C) | 61.3 |
| 13 (CH) | 59.8 |
| 14 (CH2) | 32.4 |
| 15 (C) | 143 |
| 16 (C) | 169 |
| 17 (CH2) | 124.5 |
| 18 (CH3) | 25.3 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 17.3 |
| 9a (C) | 171.4 |
| 9b (CH3) | 20.9 |
| 16a (CH3) | 52 |
