Spektraris NMR
Cyclosmenospongine
Common Name: Cyclosmenospongine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H29NO3/c1-12-6-7-16-19(2,3)8-5-9-21(16)20(12,4)11-13-17(24)14(22)10-15(23)18(13)25-21/h10,12,16H,5-9,11,22H2,1-4H3/t12-,16+,20+,21-/m0/s1
InChIKey: InChIKey=WWUJVTWKCIUWTB-UKZSNMSTSA-N
Formula: C21H29N1O3
Molecular Weight: 343.460694
Exact Mass: 343.214744
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Utkina, N.K., Denisenko, V.A., Scholokova, O.V., Makarchenko, A.E. J Nat Prod (2003) 66, 1263-5
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 29.1 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 40.9 |
| 4 (C) | 33.2 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 22 |
| 7 (CH2) | 30.1 |
| 8 (CH) | 32.3 |
| 9 (C) | 37.6 |
| 10 (C) | 88.6 |
| 11 (CH3) | 22.4 |
| 12 (CH3) | 32.4 |
| 13 (CH3) | 16.3 |
| 14 (CH3) | 17.1 |
| 15 (CH2) | 26.7 |
| 1' (C) | 113.3 |
| 2' (C) | 153.6 |
| 3' (C) | 180.5 |
| 4' (CH) | 98.1 |
| 5' (C) | 152.3 |
| 6' (C) | 177.6 |
