Spektraris NMR
Loxothyrin A
Common Name: Loxothyrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O9/c1-12-15-7-16(28)19-23(8-15,20(12)29)21(30)32-11-24(19)17(9-25)22(4,10-31-13(2)26)6-5-18(24)33-14(3)27/h9,15-19,28H,1,5-8,10-11H2,2-4H3/t15-,16-,17-,18+,19-,22+,23+,24+/m1/s1
InChIKey: InChIKey=DESXTEYYECQGPC-METYIPFGSA-N
Formula: C24H30O9
Molecular Weight: 462.490528
Exact Mass: 462.188983
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sun, H.D., Lin, Z.W., Niu, F.D., Lin, L.Z., Chai, H.B., Pezzuto, J.M., Cordell, G.A. Phytochemistry (1995) 38, 437-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trichorabales; 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) | 77.9 |
| 2 (CH2) | 24 |
| 3 (CH2) | 35.4 |
| 4 (C) | 39.2 |
| 5 (CH) | 61.5 |
| 6 (CH) | 201.6 |
| 7 (C) | 170.8 |
| 8 (C) | 58.6 |
| 9 (CH) | 47.2 |
| 10 (C) | 44.6 |
| 11 (CH) | 63.6 |
| 12 (CH2) | 42.4 |
| 13 (CH) | 34.9 |
| 14 (CH2) | 29.9 |
| 15 (C) | 202.1 |
| 16 (C) | 150.8 |
| 17 (CH2) | 118.7 |
| 18 (CH3) | 28.4 |
| 19 (CH2) | 69 |
| 20 (CH2) | 67.8 |
| 1a (C) | 170.2 |
| 1b (CH3) | 20.4 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.4 |
