Spektraris NMR
Spongidine D
Common Name: Spongidine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H35NO3S/c1-21(2)10-5-11-23(4)19(21)8-12-22(3)18-9-13-24(14-15-28(25,26)27)16-17(18)6-7-20(22)23/h9,13,16,19-20H,5-8,10-12,14-15H2,1-4H3/p+1/t19-,20-,22-,23-/m0/s1
InChIKey: InChIKey=FVJKDVMYGYXUKD-SQOUVECCSA-O
Formula: C23H36N1O3S1
Molecular Weight: 406.603835
Exact Mass: 406.24159
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) | 40.8 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 43.2 |
| 4 (C) | 34.6 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 39.7 |
| 8 (C) | 40.2 |
| 9 (CH) | 54.6 |
| 10 (C) | 39.2 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 28.5 |
| 13 (C) | 137.8 |
| 14 (C) | 171 |
| 15 (CH) | 124.9 |
| 16 (CH) | 142.8 |
| 20 (CH3) | 33.8 |
| 21 (CH3) | 21.3 |
| 22 (CH3) | 16.9 |
| 23 (CH3) | 25.6 |
| 24 (CH) | 146.1 |
| 16a (CH2) | 51.1 |
| 16b (CH2) | 57.5 |
