Spektraris NMR
Luzonoid E
Common Name: Luzonoid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O9/c1-3-15(2)10-22(30)34-24-23-19(17(12-26)13-32-24)11-20(25(23,31)14-27)33-21(29)9-6-16-4-7-18(28)8-5-16/h4-9,13,15,19-20,23-24,26-28,31H,3,10-12,14H2,1-2H3/b9-6+/t15?,19-,20+,23-,24+,25-/m1/s1
InChIKey: InChIKey=NWKWZYXSZTVTRL-ZSRQVHTGSA-N
Formula: C25H32O9
Molecular Weight: 476.517146
Exact Mass: 476.204633
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Minoshima, Y., Kishimoto, Y., Chen, I.S., Takahashi, H., Esumi, T. J Nat Prod (2004) 67, 1833-8
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) | 91.6 |
| 3 (CH) | 139 |
| 4 (C) | 119.1 |
| 5 (CH) | 32.6 |
| 6 (CH2) | 36 |
| 7 (CH) | 81.3 |
| 8 (C) | 83.6 |
| 9 (CH) | 45.4 |
| 10 (CH2) | 65.9 |
| 11 (CH2) | 62.1 |
| 1a (C) | 173.3 |
| 1b (CH2) | 42.3 |
| 1c (CH) | 33.1 |
| 1d (CH2) | 19.6 |
| 1e (CH3) | 11.6 |
| 1ca (CH3) | 30.3 |
| 7a (C) | 168.6 |
| 7b (CH) | 115.2 |
| 7c (CH) | 146.8 |
| 7d (C) | 127.1 |
| 7e (CH) | 131.3 |
| 7f (CH) | 116.8 |
| 7g (C) | 161.4 |
| 7h (CH) | 116.8 |
| 7i (CH) | 131.3 |
