Spektraris NMR
Domesticulide E
Common Name: Domesticulide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O10/c1-25(2)19(18(30)24(34)35-5)27(4)14-6-7-26(3)15(11(14)8-12(20(25)31)21(27)32)10-17(29)36-22(26)13-9-16(28)37-23(13)33/h9,12,14,16,18-19,22,28,30H,6-8,10H2,1-5H3/t12-,14-,16-,18?,19-,22-,26+,27+/m0/s1
InChIKey: InChIKey=ULLMXIDQKKNRAV-KEDRBCKFSA-N
Formula: C27H32O10
Molecular Weight: 516.538023
Exact Mass: 516.199547
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Saewan, N., Sutherland, J.D., Chantrapromma, K. Phytochemistry (2006) 67, 2288-93
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) | 214 |
| 2 (CH) | 57.1 |
| 3 (C) | 210.4 |
| 4 (C) | 49.5 |
| 5 (CH) | 43.6 |
| 6 (CH) | 72.4 |
| 7 (C) | 175.6 |
| 8 (C) | 125.5 |
| 9 (CH) | 52.7 |
| 10 (C) | 53.4 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 29.4 |
| 13 (C) | 38.3 |
| 14 (C) | 132.6 |
| 15 (CH2) | 33.1 |
| 16 (C) | 169.7 |
| 17 (CH) | 78.1 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 17.2 |
| 20 (C) | 132.2 |
| 21 (C) | 169.1 |
| 22 (CH) | 150.1 |
| 23 (CH) | 97.3 |
| 28 (CH3) | 20.3 |
| 29 (CH3) | 20.5 |
| 30 (CH2) | 36.7 |
| 7a (CH3) | 53.1 |
