Spektraris NMR
Gylongiposide I
Common Name: Gylongiposide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H76O16/c1-23(2)9-8-15-46(56,22-48)26-12-16-43(6)25(26)10-11-30-44(43,7)17-13-29-42(4,5)31(14-18-45(29,30)21-47)60-41-38(62-40-36(55)34(53)32(51)24(3)59-40)37(28(50)20-58-41)61-39-35(54)33(52)27(49)19-57-39/h9,21,24-41,48-56H,8,10-20,22H2,1-7H3/t24-,25+,26-,27+,28-,29-,30-,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,43+,44+,45+,46+/m0/s1
InChIKey: InChIKey=GCXPWGOMZLYWLE-PGSPPWFOSA-N
Formula: C46H76O16
Molecular Weight: 885.087827
Exact Mass: 884.513336
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Pan, R. Chem Pharm Bull (2004) 52, 1440-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 33.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 87.4 |
| 4 (C) | 40.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35 |
| 8 (C) | 40.3 |
| 9 (CH) | 53.2 |
| 10 (C) | 53.1 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 25 |
| 13 (CH) | 41.9 |
| 14 (C) | 50.6 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16.3 |
| 19 (CH) | 205.9 |
| 20 (C) | 76.8 |
| 21 (CH2) | 67 |
| 22 (CH2) | 36.9 |
| 23 (CH2) | 23.5 |
| 24 (CH) | 126.4 |
| 25 (C) | 131.1 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 18 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 17.5 |
| 1' (CH) | 105.1 |
| 2' (CH) | 74.7 |
| 3' (CH) | 82.1 |
| 4' (CH) | 68.8 |
| 5' (CH2) | 65.5 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 70.3 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 105.6 |
| 2''' (CH) | 74.7 |
| 3''' (CH) | 78 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67.3 |
