Spektraris NMR
Youngiajaponicoside A
Common Name: Youngiajaponicoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-12-8-18(32)23-14(3)28(36)40-26(23)22-13(2)19(10-17(12)22)37-29-25(35)27(24(34)20(11-30)38-29)39-21(33)9-15-4-6-16(31)7-5-15/h4-7,17-20,22-27,29-32,34-35H,1-3,8-11H2/t17-,18-,19-,20+,22-,23+,24+,25+,26+,27-,29+/m0/s1
InChIKey: InChIKey=SLHZCPKUCKKZNG-FSCFAXLXSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
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) | 46.8 |
| 2 (CH2) | 38.9 |
| 3 (CH) | 81.2 |
| 4 (C) | 150.5 |
| 5 (CH) | 52.7 |
| 6 (CH) | 79.6 |
| 7 (CH) | 51.5 |
| 8 (CH) | 72.7 |
| 9 (CH2) | 42.8 |
| 10 (C) | 145.1 |
| 11 (C) | 141 |
| 12 (C) | 170.7 |
| 13 (CH2) | 122.2 |
| 14 (CH2) | 117 |
| 15 (CH2) | 115 |
| 1' (CH) | 102.7 |
| 2' (CH) | 73.4 |
| 3' (CH) | 79.4 |
| 4' (CH) | 70 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 62.7 |
| 3'a (C) | 172.8 |
| 3'b (CH2) | 41 |
| 3'c (C) | 126.4 |
| 3'd (CH) | 131.5 |
| 3'e (CH) | 116.2 |
| 3'f (C) | 157.4 |
| 3'g (CH) | 116.2 |
| 3'h (CH) | 131.5 |
