Spektraris NMR
Sphaeropsidins B
Common Name: Sphaeropsidins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/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/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20+/m1/s1
InChIKey: InChIKey=XJXDJAQAAAVDCT-PBOOBJRZSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Evidente, A., Sparapano, L., Fierro, O., Bruno, G., Giordano, F., Motta, A. Phytochemistry (1997) 45, 705-13
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) | 18.3 |
| 3 (CH2) | 27.5 |
| 4 (C) | 31.8 |
| 5 (CH) | 51.5 |
| 6 (C) | 111 |
| 7 (CH) | 74 |
| 8 (C) | 135 |
| 9 (C) | 71.1 |
| 10 (C) | 58.1 |
| 11 (CH2) | 40.5 |
| 12 (CH2) | 30.1 |
| 13 (C) | 37.8 |
| 14 (CH) | 133.7 |
| 15 (CH) | 147.2 |
| 16 (CH2) | 111 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 32.3 |
| 19 (CH3) | 21.8 |
| 20 (C) | 176.7 |
