Spektraris NMR
3,4-Dihydro-methylcatalpol
Common Name: 3,4-Dihydro-methylcatalpol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O9/c1-16-8-6(12(21-2)13(16)25-16)3-4-22-14(8)24-15-11(20)10(19)9(18)7(5-17)23-15/h6-15,17-20H,3-5H2,1-2H3/t6-,7-,8-,9-,10+,11-,12+,13+,14+,15+,16-/m1/s1
InChIKey: InChIKey=URJWPHXWUJAQJA-GSKJLTDHSA-N
Formula: C16H26O9
Molecular Weight: 362.372878
Exact Mass: 362.157682
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Guner, N.D., Perozzo, R., Brun, R., Donmez, A.A., Calis, I., Ruedi, P. Phytochemistry (2005) 66, 355-62
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) | 97.8 |
| 3 (CH2) | 63 |
| 4 (CH2) | 24.2 |
| 5 (CH) | 36.6 |
| 6 (CH) | 82.6 |
| 7 (CH) | 58.3 |
| 8 (C) | 66.3 |
| 9 (CH) | 43.2 |
| 10 (CH3) | 61.2 |
| 1' (CH) | 99.4 |
| 2' (CH) | 74.9 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63 |
| 6a (CH3) | 57.9 |
