Spektraris NMR
Alatoside B
Common Name: Alatoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O9/c1-10(18(26)27)11-4-5-20(2)7-12(8-21(3,28)14(20)6-11)29-19-17(25)16(24)15(23)13(9-22)30-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12+,13-,14-,15-,16+,17-,19-,20+,21-/m1/s1
InChIKey: InChIKey=VRWAILOEMVSAOI-TVPVSTEESA-N
Formula: C21H34O9
Molecular Weight: 430.490084
Exact Mass: 430.220283
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 (CH2) | 46.5 |
| 2 (CH) | 78.9 |
| 3 (CH2) | 45.2 |
| 4 (C) | 70.4 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 27 |
| 7 (CH) | 41.4 |
| 8 (CH2) | 27.5 |
| 9 (CH2) | 44.2 |
| 10 (C) | 34.4 |
| 11 (C) | 146.4 |
| 12 (CH2) | 120.5 |
| 13 (C) | 166.7 |
| 14 (CH3) | 20.2 |
| 15 (CH3) | 25.2 |
| 1' (CH) | 96.7 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72 |
| 5' (CH) | 79.9 |
| 6' (CH2) | 62.5 |
