Spektraris NMR
Spongidine B
Common Name: Spongidine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H35NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3/p+1/t20-,21-,23+,24-,25-/m0/s1
InChIKey: InChIKey=BNRAADDMBWUNTC-XPVPTZRYSA-O
Formula: C25H36N1O4
Molecular Weight: 414.558627
Exact Mass: 414.264434
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) | 19.2 |
| 3 (CH2) | 37.4 |
| 4 (C) | 38.2 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 38.9 |
| 8 (C) | 40.4 |
| 9 (CH) | 54.8 |
| 10 (C) | 39.6 |
| 11 (CH2) | 18 |
| 12 (CH2) | 28.6 |
| 13 (C) | 137.7 |
| 14 (C) | 170.4 |
| 15 (CH) | 124.8 |
| 16 (CH) | 143.3 |
| 20 (CH3) | 27.8 |
| 21 (CH2) | 68.2 |
| 22 (CH3) | 17.4 |
| 23 (CH3) | 25.6 |
| 24 (CH) | 146.4 |
| 16a (CH2) | 63.9 |
| 16b (C) | 169.9 |
| 21a (C) | 173.3 |
| 21b (CH3) | 20.9 |
