Spektraris NMR
Sinuflexolide
Common Name: Sinuflexolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-13-6-5-10-20(4,24)17-12-15(14(2)18(22)25-17)9-11-19(3,23)16(21)8-7-13/h6,15-17,21,23-24H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17-,19-,20-/m0/s1
InChIKey: InChIKey=DAMCLDLKMZAXNC-RZZILSIYSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Wang, S.K., Tseng, H.K., Sheu, J.H., Chiang, M.Y. J Nat Prod (1998) 61, 844-7
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) | 36.5 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 85.2 |
| 4 (C) | 78.1 |
| 5 (CH2) | 38.5 |
| 6 (CH2) | 22.5 |
| 7 (CH) | 127.1 |
| 8 (C) | 136 |
| 9 (CH2) | 36.1 |
| 10 (CH2) | 30 |
| 11 (CH) | 73.8 |
| 12 (C) | 77.6 |
| 13 (CH2) | 35.6 |
| 14 (CH2) | 29.2 |
| 15 (C) | 140.9 |
| 16 (C) | 168.3 |
| 17 (CH2) | 126.1 |
| 18 (CH3) | 24.8 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 24.7 |
