Spektraris NMR
Sarcophytonolides K
Common Name: Sarcophytonolides K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13(2)20-18-11-16(21(25)28-18)10-17(24)9-14(3)7-6-8-22(5,26)12-19(20)27-15(4)23/h6,8,11,13-14,18-20,26H,7,9-10,12H2,1-5H3/b8-6+/t14?,18-,19+,20+,22-/m1/s1
InChIKey: InChIKey=TUNXVTXNCGWNAQ-QIRLSBKJSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yan, X.H., Li, Z.Y., Guo, Y.W. Helv Chim Acta (2007) 90, 1574-80
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) | 50.8 |
| 2 (CH) | 81.4 |
| 3 (CH) | 150.5 |
| 4 (C) | 129.4 |
| 5 (CH2) | 40.6 |
| 6 (C) | 204.6 |
| 7 (CH2) | 46.2 |
| 8 (CH) | 28.7 |
| 9 (CH2) | 39.3 |
| 10 (CH) | 128.1 |
| 11 (CH) | 133.2 |
| 12 (C) | 83 |
| 13 (CH2) | 42.2 |
| 14 (CH) | 70.7 |
| 15 (CH) | 26.3 |
| 16 (CH3) | 19.4 |
| 17 (CH3) | 24.6 |
| 18 (C) | 173.3 |
| 19 (CH3) | 20.1 |
| 20 (CH3) | 25.1 |
| 14a (C) | 171.1 |
| 14b (CH3) | 21.4 |
