Spektraris NMR
Alatoside D
Common Name: Alatoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-11-5-4-7-20(3)8-6-13(12(2)18(26)27)9-21(11,20)29-19-17(25)16(24)15(23)14(10-22)28-19/h5,13-17,19,22-25H,2,4,6-10H2,1,3H3,(H,26,27)/t13-,14-,15-,16+,17-,19+,20-,21-/m1/s1
InChIKey: InChIKey=MJSUVEADTASQDQ-ZEKJDWQUSA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CD3OD
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) | 33.2 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 117 |
| 4 (C) | 135.1 |
| 5 (C) | 79.5 |
| 6 (CH2) | 40.6 |
| 7 (CH) | 41.9 |
| 8 (CH2) | 29.3 |
| 9 (CH2) | 33.5 |
| 10 (C) | 41.1 |
| 11 (C) | 146.9 |
| 12 (CH2) | 125.4 |
| 13 (C) | 167.6 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 19.7 |
| 1' (CH) | 96.4 |
| 2' (CH) | 74.5 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.8 |
