Spektraris NMR
Yopaaoside B
Common Name: Yopaaoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O14/c1-35-22(33)12-8-36-24(39-25-18(31)17(30)16(29)13(7-27)37-25)15-14(12)19-21(38-19)26(15)20(32)11(23(34)40-26)6-9-2-4-10(28)5-3-9/h2-6,8,13-21,24-25,27-32H,7H2,1H3/b11-6+/t13-,14-,15-,16-,17+,18-,19+,20-,21+,24+,25+,26-/m1/s1
InChIKey: InChIKey=PPNNIWJAKIMLID-HJZUTWSRSA-N
Formula: C26H28O14
Molecular Weight: 564.493143
Exact Mass: 564.147906
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Yamasaki, K. Phytochemistry (2002) 59, 551-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 92.8 |
| 3 (CH) | 153.3 |
| 4 (C) | 108 |
| 5 (CH) | 33.2 |
| 6 (CH) | 58.1 |
| 7 (CH) | 58.2 |
| 8 (C) | 92.6 |
| 9 (CH) | 45.1 |
| 10 (CH) | 69.1 |
| 11 (C) | 168 |
| 1' (CH) | 99.3 |
| 2' (CH) | 74.3 |
| 3' (CH) | 77.6 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.3 |
| 1'' (C) | 126.2 |
| 2'' (CH) | 134.8 |
| 3'' (CH) | 117 |
| 4'' (C) | 162.1 |
| 5'' (CH) | 117 |
| 6'' (CH) | 134.8 |
| 7'' (CH) | 144 |
| 8'' (C) | 123.9 |
| 9'' (C) | 172.7 |
| 11a (CH3) | 52 |
