Spektraris NMR
Zygophyloside N
Common Name: Zygophyloside N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O16/c1-21-29-23-9-10-27-43(5)13-12-28(42(3,4)26(43)11-14-45(27,7)44(23,6)15-17-47(29)18-16-46(21,8)63-41(47)56)60-40-37(34(54)32(52)25(19-48)59-40)62-39-36(31(51)24(49)20-57-39)61-38-35(55)33(53)30(50)22(2)58-38/h21-40,48-55H,9-20H2,1-8H3/t21-,22+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,43+,44-,45-,46+,47-/m1/s1
InChIKey: InChIKey=SUSQHPKXERIBBD-VTYBFTJESA-N
Formula: C47H76O16
Molecular Weight: 897.098563
Exact Mass: 896.513336
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aquino R., Tortora S., Fkih-Tetouani S., Capasso A. Phytochemistry (2001) 56, 393-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 40 |
| 2 (CH2) | 26 |
| 3 (CH) | 90.4 |
| 4 (C) | 40.2 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34.9 |
| 8 (C) | 42 |
| 9 (CH) | 51.8 |
| 10 (C) | 37.8 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 30.5 |
| 13 (CH) | 44.4 |
| 14 (C) | 41.6 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 32 |
| 17 (C) | 49.9 |
| 18 (CH) | 49.2 |
| 19 (CH) | 43.3 |
| 20 (C) | 85.9 |
| 21 (CH2) | 32.9 |
| 22 (CH2) | 39.8 |
| 23 (CH3) | 16.6 |
| 24 (CH3) | 28.2 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 15.8 |
| 28 (C) | 176.6 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 24 |
| 1' (CH) | 105.5 |
| 2' (CH) | 79.5 |
| 3' (CH) | 76.4 |
| 4' (CH) | 73.4 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 63 |
| 1'' (CH) | 101.3 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 72.3 |
| 4'' (CH) | 67.4 |
| 5'' (CH2) | 63.2 |
| 1''' (CH) | 102.2 |
| 2''' (CH) | 72.1 |
| 3''' (CH) | 72 |
| 4''' (CH) | 73.6 |
| 5''' (CH) | 69.9 |
| 6''' (CH3) | 17.8 |
