Spektraris NMR
5-epi-Smenospongine
Common Name: 5-epi-Smenospongine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20-,21+/m0/s1
InChIKey: InChIKey=LTNUWWZNTOSEML-SNLNFDIBSA-N
Formula: C21H29N1O3
Molecular Weight: 343.460694
Exact Mass: 343.214744
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, J.H., Schmitz, F.J., Kelly, M. J Nat Prod (2000) 63, 1153-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 22.5 |
| 2 (CH2) | 25 |
| 3 (CH2) | 32.7 |
| 4 (C) | 153.5 |
| 5 (C) | 39.4 |
| 6 (CH2) | 37.9 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 39.3 |
| 9 (C) | 44.5 |
| 10 (CH) | 48.2 |
| 11 (CH2) | 105.7 |
| 12 (CH3) | 33.1 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 18.3 |
| 15 (CH2) | 32 |
| 1' (C) | 114.3 |
| 2' (C) | 156 |
| 3' (C) | 179.7 |
| 4' (CH) | 95.6 |
| 5' (C) | 150.6 |
| 6' (C) | 183 |
