Spektraris NMR
Sphaeropsidin A
Common Name: Sphaeropsidin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20-/m0/s1
InChIKey: InChIKey=FEKFUWWVNCCROX-UPWFSPPHSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Evidente, A., Sparapano, L., Motta, A., Giordano, F., Fierro, O., Frisullo, S. Phytochemistry (1996) 42, 1541-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 22.8 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 26.7 |
| 4 (C) | 32.2 |
| 5 (CH) | 51.2 |
| 6 (C) | 103.6 |
| 7 (C) | 191.6 |
| 8 (C) | 132.9 |
| 9 (C) | 70.9 |
| 10 (C) | 57 |
| 11 (CH2) | 40.3 |
| 12 (CH2) | 29.3 |
| 13 (C) | 39.3 |
| 14 (CH) | 152.6 |
| 15 (CH) | 144.2 |
| 16 (CH2) | 113.3 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 22.3 |
| 20 (C) | 174.7 |
