Spektraris NMR
Luzonoside A
Common Name: Luzonoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O14/c1-15(2)9-23(35)44-28-24-19(17(12-40-28)13-41-29-27(38)26(37)25(36)20(11-31)42-29)10-21(30(24,39)14-32)43-22(34)8-5-16-3-6-18(33)7-4-16/h3-8,12,15,19-21,24-29,31-33,36-39H,9-11,13-14H2,1-2H3/b8-5+/t19-,20-,21+,24-,25-,26+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=VUZLGISBPIEZOX-HJBLAVRFSA-N
Formula: C30H40O14
Molecular Weight: 624.631376
Exact Mass: 624.241806
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) | 91.5 |
| 3 (CH) | 140.7 |
| 4 (C) | 115.9 |
| 5 (CH) | 33 |
| 6 (CH2) | 35.9 |
| 7 (CH) | 81.6 |
| 8 (C) | 83.4 |
| 9 (CH) | 45.3 |
| 10 (CH2) | 66 |
| 11 (CH2) | 69.8 |
| 1' (CH) | 103.4 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.8 |
| 1a (C) | 173.1 |
| 1b (CH2) | 44.2 |
| 1c (CH) | 26.8 |
| 1d (CH3) | 22.7 |
| 1ca (CH3) | 22.7 |
| 7a (C) | 167.7 |
| 7b (CH) | 115.2 |
| 7c (CH) | 146.9 |
| 7d (C) | 127.8 |
| 7e (CH) | 131.3 |
| 7f (CH) | 116.8 |
| 7g (C) | 161.4 |
| 7h (CH) | 116.8 |
| 7i (CH) | 131.3 |
