Spektraris NMR
5-epi-Smenospongorine
Common Name: 5-epi-Smenospongorine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H37NO3/c1-15(2)14-26-19-12-20(27)23(29)18(22(19)28)13-25(6)17(4)10-11-24(5)16(3)8-7-9-21(24)25/h12,15,17,21,26,29H,3,7-11,13-14H2,1-2,4-6H3/t17-,21+,24-,25+/m0/s1
InChIKey: InChIKey=HKFPJBYYBSZFCI-SYUMXFIHSA-N
Formula: C25H37N1O3
Molecular Weight: 399.567163
Exact Mass: 399.277344
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aoki, S., Kong, D., Matsui, K., Rachmat, R., Kobayashi, M. Chem Pharm Bull (2004) 52, 935-7
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) | 32.9 |
| 4 (C) | 153.6 |
| 5 (C) | 39.5 |
| 6 (CH2) | 37.9 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 39.3 |
| 9 (C) | 44.4 |
| 10 (CH) | 48.4 |
| 11 (CH2) | 105.7 |
| 12 (CH3) | 33.1 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 18.3 |
| 15 (CH2) | 32 |
| 1' (C) | 113.7 |
| 2' (C) | 157.3 |
| 3' (C) | 178.4 |
| 4' (CH) | 91.6 |
| 5' (C) | 150.6 |
| 6' (C) | 182.7 |
| 5'b (CH2) | 50.4 |
| 5'c (CH) | 27.7 |
| 5'd (CH3) | 20.3 |
| 5'e (CH3) | 20.3 |
