Spektraris NMR
Anthothecanolide
Common Name: Anthothecanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O10/c1-20(2)15-8-16(27)34-12-22(15)14-4-6-21(3)18(13-5-7-33-10-13)35-17(28)9-25(21,31)24(14)11-23(30,19(20)29)26(22,32)36-24/h5,7,10,14-15,18-19,29-32H,4,6,8-9,11-12H2,1-3H3/t14-,15+,18+,19+,21+,22-,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=LXWTWJGKNFFMCZ-NWUUSGLJSA-N
Formula: C26H32O10
Molecular Weight: 504.527287
Exact Mass: 504.199547
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Tchimene, M.K., Tane, P., Ngamga, D., Connolly, J.D., Farrugia, L.J. Phytochemistry (2005) 66, 1088-93
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 (C) | 110 |
| 2 (C) | 82.5 |
| 3 (CH) | 82.1 |
| 4 (C) | 43.1 |
| 5 (CH) | 38.3 |
| 6 (CH2) | 31.6 |
| 7 (C) | 177.6 |
| 8 (C) | 83.4 |
| 9 (CH) | 55 |
| 10 (C) | 46.6 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 32.8 |
| 14 (C) | 73.6 |
| 15 (CH2) | 38.6 |
| 16 (C) | 173.1 |
| 17 (CH) | 79.4 |
| 18 (CH3) | 17.1 |
| 19 (CH2) | 75.5 |
| 20 (C) | 122.3 |
| 21 (CH) | 144.7 |
| 22 (CH) | 117.7 |
| 23 (CH) | 143 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 26.2 |
| 30 (CH2) | 42.1 |
