Spektraris NMR
Sinularolide B
Common Name: Sinularolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16+,17+,18-,20+/m1/s1
InChIKey: InChIKey=MULWDJOXRRXULO-HAUURUDMSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, G., Zhang, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2005) 68, 649-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 41.4 |
| 2 (CH) | 82.4 |
| 3 (CH) | 80.2 |
| 4 (C) | 131.7 |
| 5 (CH) | 131.6 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.5 |
| 8 (C) | 134.8 |
| 9 (CH) | 124.2 |
| 10 (CH2) | 23.6 |
| 11 (CH2) | 32.8 |
| 12 (C) | 62.9 |
| 13 (CH) | 63.2 |
| 14 (CH2) | 31.4 |
| 15 (C) | 138.8 |
| 16 (C) | 169.4 |
| 17 (CH2) | 123.9 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 15.6 |
| 20 (CH2) | 61.8 |
