Spektraris NMR
Alatoside A
Common Name: Alatoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-10(2)11-5-6-20(3)14(7-11)21(4,27)8-12(23)18(20)29-19-17(26)16(25)15(24)13(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15+,16-,17+,18-,19-,20+,21+/m0/s1
InChIKey: InChIKey=IVKBSSLXVCZRDK-RZLBXJJHSA-N
Formula: C21H36O8
Molecular Weight: 416.50656
Exact Mass: 416.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zheng, Q., Xu, Z., Sun, X., Yao, W., Sun, H., Cheng, C.H., Zhao, Y. Phytochemistry (2003) 63, 835-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 90.7 |
| 2 (CH) | 69.4 |
| 3 (CH2) | 49.6 |
| 4 (C) | 74.1 |
| 5 (CH) | 57 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 47.1 |
| 8 (CH2) | 27.2 |
| 9 (CH2) | 35.9 |
| 10 (C) | 35.9 |
| 11 (C) | 145.4 |
| 12 (CH2) | 114.8 |
| 13 (CH3) | 25.9 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 20 |
| 1' (CH) | 105.4 |
| 2' (CH) | 75.1 |
| 3' (CH) | 79 |
| 4' (CH) | 72 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.9 |
