Spektraris NMR
Caseamembrin K
Common Name: Caseamembrin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-7-14(2)8-9-23(6)15(3)21(31-17(5)28)22(29)24(13-26)18(12-25)10-19(11-20(23)24)30-16(4)27/h7,10,12-13,15,19-22,29H,1-2,8-9,11H2,3-6H3/t15-,19+,20+,21+,22+,23-,24+/m0/s1
InChIKey: InChIKey=UIUDXABYVIOINF-MBYKNUEJSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lee, C.L., Khalil, A.T., Cheng, Y.B., Chien, C.T., Kuo, Y.H. Helv Chim Acta (2005) 88, 68-77
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 26 |
| 2 (CH) | 64.8 |
| 3 (CH) | 148 |
| 4 (C) | 149.1 |
| 5 (C) | 54.1 |
| 6 (CH) | 71.8 |
| 7 (CH) | 77.2 |
| 8 (CH) | 34 |
| 9 (C) | 38.9 |
| 10 (CH) | 40.2 |
| 11 (CH2) | 29.7 |
| 12 (CH2) | 23.1 |
| 13 (C) | 146 |
| 14 (CH) | 138.9 |
| 15 (CH2) | 113 |
| 16 (CH2) | 116.3 |
| 17 (CH3) | 15.2 |
| 18 (CH) | 199.3 |
| 19 (CH) | 192.7 |
| 20 (CH3) | 25.9 |
| 2a (C) | 171.5 |
| 2b (CH3) | 21.2 |
| 7a (C) | 172.3 |
| 7b (CH3) | 22.4 |
