Spektraris NMR
Spongidine A
Common Name: Spongidine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H33NO2/c1-21(2)10-5-11-23(4)18(21)8-12-22(3)17-9-13-24(15-20(25)26)14-16(17)6-7-19(22)23/h9,13-14,18-19H,5-8,10-12,15H2,1-4H3/p+1/t18-,19-,22-,23-/m0/s1
InChIKey: InChIKey=VYIMDGZFMLBRMF-ZZTDLJEGSA-O
Formula: C23H34N1O2
Molecular Weight: 356.522464
Exact Mass: 356.258954
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - De Marino, S., Iorizzi, M., Zollo, F., Debitus, C., Menou, J.L., Ospina, L.F., Alcaraz, M.J., Paya, M. J Nat Prod (2000) 63, 322-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 40.6 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 43.2 |
| 4 (C) | 34.3 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 40.4 |
| 8 (C) | 40.5 |
| 9 (CH) | 54.7 |
| 10 (C) | 40 |
| 11 (CH2) | 18 |
| 12 (CH2) | 28.5 |
| 13 (C) | 137.7 |
| 14 (C) | 170.2 |
| 15 (CH) | 124.7 |
| 16 (CH) | 143.3 |
| 20 (CH3) | 33.8 |
| 21 (CH3) | 21.9 |
| 22 (CH3) | 16.8 |
| 23 (CH3) | 25.6 |
| 24 (CH) | 146.3 |
| 16a (CH2) | 63.9 |
| 16b (C) | 170.5 |
