Spektraris NMR
3,5,14,15,17-Penta-O-acetyl-7-O-nicotinoyleuphoppin
Common Name: 3,5,14,15,17-Penta-O-acetyl-7-O-nicotinoyleuphoppin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H45NO13/c1-16-14-35(49-21(6)42)26(27(16)44-17(2)38)29(45-18(3)39)36-24(48-30(43)22-11-10-12-37-15-22)13-23-25(33(23,7)8)28(36)34(9,31(35)46-19(4)40)50-32(36)47-20(5)41/h10-12,15-16,23-29,31-32H,13-14H2,1-9H3/t16-,23-,24+,25-,26+,27-,28-,29+,31-,32?,34+,35+,36-/m0/s1
InChIKey: InChIKey=HELDDHKCYSRHNP-BMGKHZGYSA-N
Formula: C36H45N1O13
Molecular Weight: 699.742833
Exact Mass: 699.289091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zahid, M., Husani, S.R., Abbas, M., Pan, Y.J., Jassbi, A.R., Asim, M., Parvez, M., Voelter, W., Ahmad, V.U. Helv Chim Acta (2001) 84, 1980-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 35.8 |
| 3 (CH) | 76.8 |
| 4 (CH) | 53.3 |
| 5 (CH) | 67.6 |
| 6 (C) | 55.9 |
| 7 (CH) | 72.6 |
| 8 (CH2) | 25.6 |
| 9 (CH) | 18.6 |
| 10 (C) | 18.9 |
| 11 (CH) | 23.1 |
| 12 (CH) | 37.4 |
| 13 (C) | 88.1 |
| 14 (CH) | 79.6 |
| 15 (C) | 90 |
| 16 (CH3) | 14.4 |
| 17 (CH) | 97.1 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 24.9 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21 |
| 5a (C) | 170 |
| 5b (CH3) | 21 |
| 7a (C) | 164.6 |
| 7b (C) | 126.4 |
| 7c (CH) | 150.7 |
| 7d (CH) | 153 |
| 7e (CH) | 123.2 |
| 7f (CH) | 137.5 |
| 14a (C) | 169.6 |
| 14b (CH3) | 21.3 |
| 15a (C) | 169.1 |
| 15b (CH3) | 21.4 |
| 17a (C) | 168.2 |
| 17b (CH3) | 23 |
