Spektraris NMR
Alisolide
Common Name: Alisolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O4/c1-15-13-20(29)30-26(15)12-11-24(5)18(26)14-16(27)21-23(4)9-8-19(28)22(2,3)17(23)7-10-25(21,24)6/h14-15,17,21H,7-13H2,1-6H3/t15-,17+,21+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=TUVXZFRJBJGPCX-CVLYPPSVSA-N
Formula: C26H36O4
Molecular Weight: 412.56262
Exact Mass: 412.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, M., Xu, L.J., Che, C.T. Phytochemistry (2008) 69, 527-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Protostanes; 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) | 32.4 |
| 2 (CH2) | 33.7 |
| 3 (C) | 218.9 |
| 4 (C) | 46.9 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 33.3 |
| 8 (C) | 44.4 |
| 9 (CH) | 55.3 |
| 10 (C) | 37.2 |
| 11 (C) | 199 |
| 12 (CH) | 124.2 |
| 13 (C) | 166.3 |
| 14 (C) | 51.3 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 35.9 |
| 17 (C) | 93.8 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 25.1 |
| 20 (CH) | 37.8 |
| 21 (CH3) | 15.8 |
| 22 (CH2) | 36.9 |
| 23 (C) | 174.7 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 19.4 |
| 30 (CH3) | 24.4 |
