Spektraris NMR
Cespitularin K
Common Name: Cespitularin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O4/c1-12-6-7-15-8-9-17-19(22(15,4)5)21(25)18(20(17)24)13(2)11-16(10-12)26-14(3)23/h11,15-16,18H,1,6-10H2,2-5H3/b13-11+/t15-,16+,18+/m1/s1
InChIKey: InChIKey=VJHLWHCWWJFDGL-MBLMHDNXSA-N
Formula: C22H28O4
Molecular Weight: 356.456151
Exact Mass: 356.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cespitularanes; 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) | 42.3 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 30.9 |
| 4 (C) | 143.8 |
| 5 (CH2) | 42.4 |
| 6 (CH) | 69.8 |
| 7 (CH) | 128.3 |
| 8 (C) | 131.4 |
| 9 (CH) | 63.1 |
| 10 (C) | 200.9 |
| 11 (C) | 166 |
| 12 (C) | 155.8 |
| 13 (CH2) | 19.4 |
| 14 (CH2) | 22.3 |
| 15 (C) | 35.2 |
| 16 (CH3) | 30.2 |
| 17 (CH3) | 23.8 |
| 18 (C) | 196.4 |
| 19 (CH3) | 15.9 |
| 20 (CH2) | 113 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.3 |
