Spektraris NMR
Domesticulide C
Common Name: Domesticulide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-13-16-8-9-27(5)23(15-10-19(32)39-24(15)34)38-20(33)12-29(13,27)40-18-11-17(31)26(3,4)22(28(16,18)6)21(25(35)36-7)37-14(2)30/h10,16,18-19,21-23,32H,1,8-9,11-12H2,2-7H3/t16-,18-,19-,21?,22-,23-,27-,28-,29-/m0/s1
InChIKey: InChIKey=YNGKZQFTPBSWLG-RZWQUMECSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
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 (CH) | 77.8 |
| 2 (CH2) | 39 |
| 3 (C) | 210.9 |
| 4 (C) | 48.7 |
| 5 (CH) | 46.2 |
| 6 (CH) | 72.3 |
| 7 (C) | 170.5 |
| 8 (C) | 145.2 |
| 9 (CH) | 50.5 |
| 10 (C) | 44.2 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 28.2 |
| 13 (C) | 41.7 |
| 14 (C) | 80.2 |
| 15 (CH2) | 33.7 |
| 16 (C) | 170.1 |
| 17 (CH) | 78.1 |
| 18 (CH3) | 13.5 |
| 19 (CH3) | 22.8 |
| 20 (C) | 133.9 |
| 21 (C) | 170.5 |
| 22 (CH) | 149.3 |
| 23 (CH) | 96.6 |
| 28 (CH3) | 23.6 |
| 29 (CH3) | 24.7 |
| 30 (CH2) | 112 |
| 6a (C) | 170 |
| 6b (CH3) | 21.1 |
| 7a (CH3) | 53 |
