Spektraris NMR
Sugetriol triacetate
Common Name: Sugetriol triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3/t11-,15-,16+,17+,19+,21+/m1/s1
InChIKey: InChIKey=LCYMMMXHRHJXJB-ZHOQLOPFSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, Y., Zhang, H.W., Wan, X.C., Zou, Z.M. Magn Reson Chem (2009) 47, 527-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Patchoulanes; 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 (C) | 62.1 |
| 2 (CH2) | 36.5 |
| 3 (CH) | 84.8 |
| 4 (C) | 142.8 |
| 5 (C) | 135.9 |
| 6 (CH) | 70.7 |
| 7 (CH) | 50.8 |
| 8 (CH2) | 28.2 |
| 9 (CH) | 74.7 |
| 10 (CH) | 39.6 |
| 11 (C) | 41.7 |
| 12 (CH3) | 20.3 |
| 13 (CH3) | 25.6 |
| 14 (CH3) | 14.2 |
| 15 (CH3) | 10.8 |
| 3a (C) | 171.2 |
| 3b (CH3) | 21.2 |
| 6a (C) | 170.8 |
| 6b (CH3) | 21.1 |
| 9a (C) | 170.7 |
| 9b (CH3) | 20.8 |
