Spektraris NMR
8,14-Methylensphaeropsidin A methyl ester
Common Name: 8,14-Methylensphaeropsidin A methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-6-19(4)10-11-22(26)20(17(25)27-5)9-7-8-18(2,3)15(20)14(23)16(24)21(22)12-13(19)21/h6,13,15,26H,1,7-12H2,2-5H3/t13-,15-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=UGJHAVHEDBUEAC-ZJPKYSNPSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 24.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 26.2 |
| 4 (C) | 33.5 |
| 5 (CH) | 56.7 |
| 6 (C) | 191.1 |
| 7 (C) | 189 |
| 8 (C) | 34.2 |
| 9 (C) | 72.3 |
| 10 (C) | 57.9 |
| 11 (CH2) | 42.1 |
| 12 (CH2) | 29.4 |
| 13 (C) | 38.9 |
| 14 (CH) | 37.8 |
| 15 (CH) | 147.1 |
| 16 (CH2) | 111.1 |
| 17 (CH3) | 24.4 |
| 18 (CH3) | 32.2 |
| 19 (CH3) | 19.8 |
| 20 (C) | 175.3 |
| 8a (CH2) | 27.3 |
| 20a (CH3) | 52.8 |
