Spektraris NMR
sinulariolone
Common Name: sinulariolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13,15-16,22,24H,1,5-11H2,2-4H3/t13-,15-,16+,18-,19-,20-/m1/s1
InChIKey: InChIKey=MMFMKUFASHHEIN-OZDUQECXSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Y., Huang, C.Y., Lin, Y.F., Wen, Z.H., Su, J.H., Kuo, Y.H., Chiang, M.Y., Sheu, J.H. J Nat Prod (2008) 71, 1754-9
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) | 32.5 |
| 2 (CH2) | 38.2 |
| 3 (CH) | 74.6 |
| 4 (C) | 87 |
| 5 (CH2) | 37.3 |
| 6 (CH2) | 25.6 |
| 7 (CH) | 84.7 |
| 8 (C) | 74 |
| 9 (CH2) | 34.3 |
| 10 (CH2) | 34.1 |
| 11 (C) | 211.2 |
| 12 (C) | 91.6 |
| 13 (CH2) | 34.3 |
| 14 (CH2) | 30.7 |
| 15 (C) | 144.6 |
| 16 (C) | 168.5 |
| 17 (CH2) | 124.7 |
| 18 (CH3) | 17 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 29.5 |
