Spektraris NMR
Loniceracetalide A
Common Name: Loniceracetalide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O11/c1-5-11-12(6-15-29-9(2)10(3)30-15)13(19(26)27-4)8-28-20(11)32-21-18(25)17(24)16(23)14(7-22)31-21/h5,8-12,14-18,20-25H,1,6-7H2,2-4H3/t9-,10+,11-,12+,14-,15+,16-,17+,18-,20+,21+/m1/s1
InChIKey: InChIKey=FYLXQAYYBFZLSK-ASPISHFSSA-N
Formula: C21H32O11
Molecular Weight: 460.473012
Exact Mass: 460.194462
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kakuda, R., Imai, M., Yaoita, Y., Machida, K., Kikuchi, M. Phytochemistry (2000) 55, 879-81
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 (CH) | 153.1 |
| 4 (C) | 111.7 |
| 5 (CH) | 29.5 |
| 6 (CH2) | 35.5 |
| 7 (CH) | 102.6 |
| 8 (CH) | 135.8 |
| 9 (CH) | 45.3 |
| 10 (CH2) | 119.7 |
| 11 (C) | 169.2 |
| 1' (CH) | 51.7 |
| 2' (CH) | 100.1 |
| 3' (CH) | 74.7 |
| 4' (CH) | 78 |
| 5' (CH) | 71.5 |
| 6' (CH2) | 78.4 |
| 7a (CH) | 75.2 |
| 7b (CH) | 75.3 |
| 7aa (CH3) | 14.6 |
| 7ab (CH3) | 14.6 |
| 11a (CH3) | 62.7 |
