Spektraris NMR
Clandonensine
Common Name: Clandonensine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H20O7/c1-6(13)19-11(2)4-7(14)12(16)5-8(15)18-10(17-3)9(11)12/h7-10,14-16H,4-5H2,1-3H3/t7-,8-,9-,10-,11+,12-/m1/s1
InChIKey: InChIKey=GWGHMCJQYGRQOT-QSZMHOAKSA-N
Formula: C12H20O7
Molecular Weight: 276.28348
Exact Mass: 276.120903
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) | 103 |
| 3 (CH) | 89.2 |
| 4 (CH2) | 40.4 |
| 5 (C) | 82.4 |
| 6 (CH) | 77.8 |
| 7 (CH2) | 47.6 |
| 8 (C) | 89.9 |
| 9 (CH) | 55 |
| 10 (CH3) | 24.2 |
| 1a (CH3) | 57.8 |
| 8a (C) | 176.8 |
| 8b (CH3) | 24.4 |
