Spektraris NMR
14-Desoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-nicotinoyhnyrsinol-14b-nicotinoate
Common Name: 14-Desoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-nicotinoyhnyrsinol-14b-nicotinoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H44N2O11/c1-8-29(44)50-31-22(4)17-39(52-24(6)43)30(31)33(48-23(5)42)38-20-47-37(7,36(39)51-35(46)26-12-10-16-41-19-26)32(38)27(21(2)3)13-14-28(38)49-34(45)25-11-9-15-40-18-25/h9-16,18-19,22,27-28,30-33,36H,2,8,17,20H2,1,3-7H3/t22-,27+,28+,30+,31-,32-,33+,36-,37+,38+,39+/m0/s1
InChIKey: InChIKey=ZONUZKYONKQNDQ-RASVLFRWSA-N
Formula: C39H44N2O11
Molecular Weight: 716.775034
Exact Mass: 716.29451
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeske, F., Jakupovic, J., Berendsohn, W. Phytochemistry (1995) 40, 1743-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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 (CH2) | 43.8 |
| 2 (CH) | 36.7 |
| 3 (CH) | 76.5 |
| 4 (CH) | 51.7 |
| 5 (CH) | 69.1 |
| 6 (C) | 54.5 |
| 7 (CH) | 65.1 |
| 8 (CH) | 122.8 |
| 9 (CH) | 134 |
| 10 (C) | 146.7 |
| 11 (CH) | 41.8 |
| 12 (CH) | 40.6 |
| 13 (C) | 89.2 |
| 14 (CH) | 82.1 |
| 15 (C) | 89.8 |
| 16 (CH3) | 14 |
| 17 (CH2) | 69.2 |
| 18 (CH2) | 113 |
| 19 (CH3) | 20.6 |
| 20 (CH3) | 24.6 |
| 3a (C) | 174.1 |
| 3b (CH2) | 27.7 |
| 3c (CH3) | 8.8 |
| 5a (C) | 169.1 |
| 5b (CH3) | 20.8 |
| 7a (C) | 164.6 |
| 7b (C) | 126.6 |
| 7c (CH) | 150.6 |
| 7d (CH) | 153.1 |
| 7e (CH) | 123.1 |
| 7f (CH) | 137.5 |
| 14a (C) | 164.6 |
| 14b (C) | 125.7 |
| 14c (CH) | 150.9 |
| 14d (CH) | 153.5 |
| 14e (CH) | 123.4 |
| 14f (CH) | 137.1 |
| 15a (C) | 168.2 |
| 15b (CH3) | 22.6 |
