Spektraris NMR
Acevaltrate
Common Name: Acevaltrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O10/c1-13(2)7-19(27)32-18-8-17-16(10-29-14(3)25)11-30-22(21(17)24(18)12-31-24)33-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
InChIKey: InChIKey=WQKBMPNNRRZQLG-STCFVSJZSA-N
Formula: C24H32O10
Molecular Weight: 480.505815
Exact Mass: 480.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, B.K., Qin, L.P., Liu, Y.M., Zhang, Q.Y., Zheng, H.C. Chem Nat Compd (2009) 45, 363-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 92.5 |
| 3 (CH) | 148.6 |
| 4 (C) | 108.2 |
| 5 (C) | 141.2 |
| 6 (CH) | 118.3 |
| 7 (CH) | 83.3 |
| 8 (C) | 64 |
| 9 (CH) | 42.9 |
| 10 (CH2) | 47.9 |
| 11 (CH2) | 60.7 |
| 1a (C) | 170.3 |
| 1b (CH2) | 44 |
| 1c (C) | 79.2 |
| 1d (CH3) | 26.6 |
| 1e (CH3) | 26.7 |
| 1f (C) | 169.5 |
| 1g (CH3) | 22.2 |
| 7a (C) | 170.3 |
| 7b (CH2) | 42.9 |
| 7c (CH) | 25.5 |
| 7d (CH3) | 22.3 |
| 7e (CH3) | 22.3 |
| 11a (C) | 170.8 |
| 11b (CH3) | 20.9 |
