Spektraris NMR
Deacetylkhayanolide E
Common Name: Deacetylkhayanolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-18,20,29,32-33H,5,7,9,11H2,1-4H3/t13-,15-,16-,17+,18+,20+,22?,23+,24-,25?,26-,27+/m1/s1
InChIKey: InChIKey=HOUJKWFMLMSPNW-BHBNQCDESA-N
Formula: C27H32O10
Molecular Weight: 516.538023
Exact Mass: 516.199547
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, H., Odeku, O.A., Wang, X.N., Yue, J.M. Phytochemistry (2008) 69, 271-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 84.8 |
| 2 (CH) | 75.8 |
| 3 (C) | 207.3 |
| 4 (C) | 51.8 |
| 5 (CH) | 43.1 |
| 6 (CH) | 72.7 |
| 7 (C) | 175.9 |
| 8 (C) | 88.5 |
| 9 (CH) | 56.8 |
| 10 (C) | 59.4 |
| 11 (CH2) | 17.1 |
| 12 (CH2) | 26.6 |
| 13 (C) | 38.4 |
| 14 (C) | 84.3 |
| 15 (CH2) | 34.2 |
| 16 (C) | 170.4 |
| 17 (CH) | 80.7 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 21 |
| 20 (C) | 121.9 |
| 21 (CH) | 141.7 |
| 22 (CH) | 110.9 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 16.2 |
| 29 (CH2) | 46.5 |
| 30 (CH) | 65.1 |
| 7a (CH3) | 52.2 |
