Spektraris NMR
Sinulaflexiolide K
Common Name: Sinulaflexiolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-7-6-8-15(2)19(24)13-18-11-12-22(5,27-21(25)16(18)3)20(10-9-14)26-17(4)23/h7-8,18-20,24H,3,6,9-13H2,1-2,4-5H3/b14-7+,15-8+/t18-,19-,20+,22-/m1/s1
InChIKey: InChIKey=FYHZAJMWZNMCLN-XZIQCTLMSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
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) | 31.6 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 32.3 |
| 4 (C) | 85.6 |
| 5 (CH) | 70.6 |
| 6 (CH2) | 27.8 |
| 7 (CH2) | 33.9 |
| 8 (C) | 132.7 |
| 9 (CH) | 125.5 |
| 10 (CH2) | 25.7 |
| 11 (CH) | 127.2 |
| 12 (C) | 134.1 |
| 13 (CH) | 76.6 |
| 14 (CH2) | 37.5 |
| 15 (C) | 144.4 |
| 16 (C) | 168.5 |
| 17 (CH2) | 124.5 |
| 18 (CH3) | 24.2 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 9.2 |
| 5a (C) | 170.6 |
| 5b (CH3) | 20.7 |
