Spektraris NMR
Glaucacetalin C
Common Name: Glaucacetalin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O10/c1-16-7-8-27(4)9-10-28(5)23-22(42-18(3)33)24(36)30-15-41-25(37)29(23,20(30)13-19(34)21(35)17(30)2)11-12-31(28,26(38)40-6)32(27,39)14-16/h17,19-25,34-37,39H,1,7-15H2,2-6H3/t17-,19+,20-,21+,22-,23+,24+,25?,27+,28+,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=SHSLNYHFLPFNSE-SNQPQXTFSA-N
Formula: C32H48O10
Molecular Weight: 592.718754
Exact Mass: 592.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nader, B.L., Cardoso Taketa, A.T., Iturriaga, G., Pereda-Miranda, R., Villarreal, M.L. Planta Med (2004) 70, 1174-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 25.5 |
| 2 (CH) | 69.7 |
| 3 (CH) | 75.6 |
| 4 (CH) | 38.8 |
| 5 (C) | 42.9 |
| 6 (CH) | 85.3 |
| 7 (CH) | 79 |
| 8 (CH) | 51.8 |
| 9 (C) | 40.6 |
| 10 (CH) | 41.5 |
| 11 (CH2) | 31.1 |
| 12 (CH2) | 23.3 |
| 13 (C) | 57.5 |
| 14 (C) | 43.4 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 34.8 |
| 17 (C) | 37.5 |
| 18 (C) | 78.1 |
| 19 (CH2) | 42.3 |
| 20 (C) | 144.8 |
| 21 (CH2) | 28.6 |
| 22 (CH2) | 35.7 |
| 23 (CH3) | 13.8 |
| 24 (CH2) | 55.3 |
| 25 (CH) | 94 |
| 26 (CH3) | 21.6 |
| 27 (C) | 175.7 |
| 28 (CH3) | 25.5 |
| 29 (CH2) | 108.9 |
| 7a (C) | 173.9 |
| 7b (CH3) | 22.2 |
| 27a (CH3) | 51.4 |
