Spektraris NMR
Youngiajaponicoside D
Common Name: Youngiajaponicoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-10(19(26)27)12-4-6-21(3)7-5-14(11(2)13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h12-18,20,22-25H,1-2,4-9H2,3H3,(H,26,27)/t12-,13+,14-,15-,16-,17+,18-,20-,21+/m1/s1
InChIKey: InChIKey=XGBLAAVKNYADBQ-YUYNFXCASA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen, W., Liu, Q., Wang, J., Zou, J., Meng, D., Zuo, J., Zhu, X., Zhao, W. Planta Med (2006) 72, 143-50
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) | 37.6 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 83.2 |
| 4 (C) | 152.7 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 31.4 |
| 7 (CH) | 41.5 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 42.4 |
| 10 (C) | 37.2 |
| 11 (C) | 149.3 |
| 12 (CH2) | 122.4 |
| 13 (C) | 172.2 |
| 14 (CH3) | 16.8 |
| 15 (CH2) | 110.2 |
| 1' (CH) | 103 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78 |
| 6' (CH2) | 63.1 |
