Spektraris NMR
swiemahogins A
Common Name: swiemahogins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O8/c1-23(2)18(13-20(29)33-6)24(3,10-8-19(23)28)17-7-11-25(4,22(31)16-9-12-34-15-16)27(32)14-21(30)35-26(17,27)5/h8-10,12,15,17-18,22,31-32H,7,11,13-14H2,1-6H3/t17-,18+,22-,24-,25+,26-,27-/m1/s1
InChIKey: InChIKey=AXPQVXURTHIQGM-ORZMTASASA-N
Formula: C27H36O8
Molecular Weight: 488.570976
Exact Mass: 488.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.Y., Wang, X.N., Fan, C.Q., Yin, S., Yue, J.M. Tetrahedron Lett (2007) 48, 7480-4
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) | 153.3 |
| 2 (CH) | 124.8 |
| 3 (C) | 203.7 |
| 4 (C) | 46 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 32.2 |
| 7 (C) | 174.9 |
| 8 (C) | 93.1 |
| 9 (CH) | 51.4 |
| 10 (C) | 43.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 33.3 |
| 13 (C) | 41.9 |
| 14 (C) | 86.5 |
| 15 (CH2) | 42.2 |
| 16 (C) | 174.8 |
| 17 (CH) | 70.6 |
| 18 (CH3) | 17 |
| 19 (CH3) | 19.3 |
| 20 (C) | 125.4 |
| 21 (CH) | 140.6 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.8 |
| 28 (CH3) | 23 |
| 29 (CH3) | 22.7 |
| 30 (CH3) | 16 |
| 7a (CH3) | 52.2 |
