Spektraris NMR
Clandonoside II
Common Name: Clandonoside II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O12/c1-16(23)6-9(19)17(24)4-5-27-15(11(16)17)29-14(10(20)13(22)26-3)28-8(7-18)12(21)25-2/h4-5,8-11,14-15,18-20,23-24H,6-7H2,1-3H3/t8-,9+,10-,11+,14-,15-,16-,17+/m0/s1
InChIKey: InChIKey=CNNYMNKPTOVMNY-DRJNIFDBSA-N
Formula: C17H26O12
Molecular Weight: 422.381829
Exact Mass: 422.142426
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Hannedouche, S., Stanislas, E., Moulis, C., Fouraste, I. Phytochemistry (2000) 54, 807-9
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) | 97.1 |
| 3 (CH) | 143.5 |
| 4 (CH) | 109.3 |
| 5 (C) | 73.9 |
| 6 (CH) | 79 |
| 7 (CH2) | 48 |
| 8 (C) | 79.7 |
| 9 (CH) | 59.4 |
| 10 (CH3) | 26.6 |
| 1' (CH) | 102.8 |
| 2' (CH) | 75.1 |
| 3' (C) | 175 |
| 4' (C) | 175 |
| 5' (CH) | 79.2 |
| 6' (CH2) | 65 |
| 3'a (CH3) | 55.5 |
| 4'a (CH3) | 55.6 |
