Spektraris NMR
Oxidized derivative of sphaeropsidin B
Common Name: Oxidized derivative of sphaeropsidin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-5-18(4)9-10-20(13(11-18)12-21)19(16(23)24)8-6-7-17(2,3)14(19)15(22)25-20/h5,11-12,14H,1,6-10H2,2-4H3,(H,23,24)/t14-,18-,19-,20+/m0/s1
InChIKey: InChIKey=LRRZMKRUDVFTBA-DILOTOHQSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sparapano, L., Bruno, G., Fierro, O., Evidente, A. Phytochemistry (2004) 65, 189-98
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) | 27.2 |
| 2 (CH2) | 20.7 |
| 3 (CH2) | 30.5 |
| 4 (C) | 32.7 |
| 5 (CH) | 52.1 |
| 6 (C) | 172.4 |
| 7 (CH) | 192.2 |
| 8 (C) | 135.3 |
| 9 (C) | 84 |
| 10 (C) | 58.1 |
| 11 (CH2) | 41.4 |
| 12 (CH2) | 32.7 |
| 13 (C) | 38.4 |
| 14 (CH) | 150.9 |
| 15 (CH) | 142.5 |
| 16 (CH2) | 114.5 |
| 17 (CH3) | 27.6 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 21.5 |
| 20 (C) | 174.4 |
