Spektraris NMR
xylocarpins A
Common Name: xylocarpins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O9/c1-8-17(2)27(35)40-26-19-15-31-20(30(6,32(19,36)41-31)21(28(26,3)4)13-23(33)37-7)9-11-29(5)22(31)14-24(34)39-25(29)18-10-12-38-16-18/h8,10,12,16,19-22,25-26,36H,9,11,13-15H2,1-7H3/b17-8+/t19?,20-,21+,22-,25+,26-,29-,30-,31-,32?/m1/s1
InChIKey: InChIKey=MCBIVWOLAJXDRK-MZAIXJISSA-N
Formula: C32H42O9
Molecular Weight: 570.671705
Exact Mass: 570.282883
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, M., Wu, J., Zhang, S., Xiao, Q., Li, Q. Magn Reson Chem (2007) 45, 705-9
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) | 109.4 |
| 2 (CH) | 46.2 |
| 3 (CH) | 77.5 |
| 4 (C) | 39.3 |
| 5 (CH) | 41.3 |
| 6 (CH2) | 33.2 |
| 7 (C) | 176.8 |
| 8 (C) | 81 |
| 9 (CH) | 64.5 |
| 10 (C) | 45 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 36.6 |
| 13 (C) | 36.6 |
| 14 (CH) | 46.3 |
| 15 (CH2) | 28.8 |
| 16 (C) | 173.2 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 21.2 |
| 20 (C) | 122.8 |
| 21 (CH) | 142.6 |
| 22 (CH) | 111 |
| 23 (CH) | 144.5 |
| 28 (CH3) | 22.6 |
| 29 (CH3) | 25.2 |
| 30 (CH2) | 30.3 |
| 3a (C) | 168.8 |
| 3b (C) | 129.8 |
| 3c (CH) | 139 |
| 3d (CH3) | 12.2 |
| 3ba (CH3) | 14.5 |
| 7a (CH3) | 52.5 |
