Spektraris NMR
Domesticulide A
Common Name: Domesticulide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O8/c1-15-17(25(4)10-8-18(28)24(2,3)21(25)20(30)23(31)33-6)7-11-26(5)22(16-9-12-34-14-16)35-19(29)13-27(15,26)32/h8-10,12,14,17,20-22,30,32H,1,7,11,13H2,2-6H3/t17-,20?,21-,22-,25+,26-,27-/m0/s1
InChIKey: InChIKey=HNSYHVJTEKHNNS-IVCMRDEOSA-N
Formula: C27H34O8
Molecular Weight: 486.555094
Exact Mass: 486.225368
NMR Solvent: CDCl3
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) | 154.2 |
| 2 (CH) | 125.4 |
| 3 (C) | 204.8 |
| 4 (C) | 46.7 |
| 5 (CH) | 47.9 |
| 6 (CH) | 71.4 |
| 7 (C) | 177 |
| 8 (C) | 145.5 |
| 9 (CH) | 47.7 |
| 10 (C) | 44.9 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 27.5 |
| 13 (C) | 39.6 |
| 14 (C) | 72.8 |
| 15 (CH2) | 39.7 |
| 16 (C) | 170.6 |
| 17 (CH) | 79.4 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 20.5 |
| 20 (C) | 120.6 |
| 21 (CH) | 140.9 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 21.3 |
| 30 (CH2) | 118.2 |
| 7a (CH3) | 53.3 |
