Spektraris NMR
Capsianoside XIV
Common Name: Capsianoside XIV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3/b20-12+,21-13-,24-15-/t22-,23-,25+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+/m0/s1
InChIKey: InChIKey=WCALJGCPGKSKSU-QPGLPJLFSA-N
Formula: C38H64O16
Molecular Weight: 776.906651
Exact Mass: 776.419436
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, J.H., Kiyota, N., Ikeda, T., Nohara, T. Chem Pharm Bull (2008) 56, 582-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 112.2 |
| 2 (CH) | 146.4 |
| 3 (C) | 73.9 |
| 4 (CH2) | 43.7 |
| 5 (CH2) | 23.3 |
| 6 (CH) | 129.2 |
| 7 (C) | 138.1 |
| 8 (CH2) | 36 |
| 9 (CH2) | 27.9 |
| 10 (CH) | 126 |
| 11 (C) | 135.6 |
| 12 (CH2) | 40.9 |
| 13 (CH2) | 27.3 |
| 14 (CH) | 131.3 |
| 15 (C) | 132.5 |
| 16 (CH3) | 21.9 |
| 17 (CH2) | 67.9 |
| 18 (CH3) | 16.3 |
| 19 (CH2) | 60 |
| 20 (CH3) | 27.7 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 79.5 |
| 5'' (CH) | 75.5 |
| 6'' (CH2) | 67 |
| 1''' (CH) | 102.8 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.6 |
| 4''' (CH) | 74.1 |
| 5''' (CH) | 69.9 |
| 6''' (CH3) | 17.9 |
| 1'''' (CH) | 101.7 |
| 2'''' (CH) | 72.3 |
| 3'''' (CH) | 72.3 |
| 4'''' (CH) | 73.9 |
| 5'''' (CH) | 70.7 |
| 6'''' (CH3) | 18.2 |
