Spektraris NMR
Caseamembrin J
Common Name: Caseamembrin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-7-16(3)9-10-24(6)18(5)11-22(28)25(15-27)19(14-26)12-20(13-21(24)25)30-23(29)17(4)8-2/h7,12,14-15,17-18,20-22,28H,1,3,8-11,13H2,2,4-6H3/t17?,18-,20-,21+,22+,24-,25+/m0/s1
InChIKey: InChIKey=UESZYYLGCVWOTQ-HPJCDAQVSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
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) | 25.9 |
| 2 (CH) | 69.9 |
| 3 (CH) | 153.4 |
| 4 (C) | 147.5 |
| 5 (C) | 55.8 |
| 6 (CH) | 72.7 |
| 7 (CH2) | 37 |
| 8 (CH) | 35.6 |
| 9 (C) | 38.5 |
| 10 (CH) | 44.9 |
| 11 (CH2) | 29.7 |
| 12 (CH2) | 23.4 |
| 13 (C) | 146.3 |
| 14 (CH) | 139 |
| 15 (CH2) | 113.1 |
| 16 (CH2) | 116.1 |
| 17 (CH3) | 15.3 |
| 18 (CH) | 202.1 |
| 19 (CH) | 196 |
| 20 (CH3) | 26 |
| 2a (C) | 176 |
| 2b (CH) | 41.1 |
| 2c (CH2) | 26.8 |
| 2d (CH3) | 11.7 |
| 2ba (CH3) | 16.6 |
