Spektraris NMR
Youngiajaponicoside B
Common Name: Youngiajaponicoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-13-4-9-18-14(2)28(35)39-26(18)23-15(3)20(11-19(13)23)36-29-25(34)27(24(33)21(12-30)37-29)38-22(32)10-16-5-7-17(31)8-6-16/h5-8,18-21,23-27,29-31,33-34H,1-4,9-12H2/t18-,19-,20-,21+,23-,24+,25+,26-,27-,29+/m0/s1
InChIKey: InChIKey=RNLKYSGHJFNGIH-PGTKEVRDSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
NMR Solvent: CD3COCD3
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 : Guaianes; 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) | 44.8 |
| 2 (CH2) | 37.9 |
| 3 (CH) | 80.7 |
| 4 (C) | 150.3 |
| 5 (CH) | 50.3 |
| 6 (CH) | 83.9 |
| 7 (CH) | 45.4 |
| 8 (CH2) | 30.9 |
| 9 (CH2) | 34.3 |
| 10 (C) | 149.4 |
| 11 (C) | 141.1 |
| 12 (C) | 170 |
| 13 (CH2) | 119.4 |
| 14 (CH2) | 113.9 |
| 15 (CH2) | 112.2 |
| 1' (CH) | 102.8 |
| 2' (CH) | 72.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 69.2 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 62 |
| 3'a (C) | 172 |
| 3'b (CH2) | 40.2 |
| 3'c (C) | 125.7 |
| 3'd (CH) | 130.8 |
| 3'e (CH) | 115.4 |
| 3'f (C) | 156.6 |
| 3'g (CH) | 115.4 |
| 3'h (CH) | 130.8 |
