Spektraris NMR
Goyaglycoside-F
Common Name: Goyaglycoside-F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O13/c1-21(2)16-23(52-36-34(49)32(47)30(45)25(18-43)53-36)17-22(3)24-10-12-40(7)27-11-13-42-28(41(27,20-51-42)15-14-39(24,40)6)8-9-29(38(42,4)5)55-37-35(50)33(48)31(46)26(19-44)54-37/h11,13,16,22-37,43-50H,8-10,12,14-15,17-20H2,1-7H3/t22-,23+,24-,25-,26-,27+,28+,29+,30-,31-,32-,33+,34-,35-,36-,37+,39-,40+,41+,42-/m1/s1
InChIKey: InChIKey=ABQUGMVYQWOOLF-QDKKCQJKSA-N
Formula: C42H68O13
Molecular Weight: 780.983143
Exact Mass: 780.465992
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, Q.Y., Chen, H.B., Liu, Z.M., Wang, B., Zhao, Y.Y. Magn Reson Chem (2007) 45, 451-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 18.9 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 85.3 |
| 4 (C) | 39.1 |
| 5 (C) | 85.9 |
| 6 (CH) | 134.1 |
| 7 (CH) | 130 |
| 8 (CH) | 52.3 |
| 9 (C) | 45.3 |
| 10 (CH) | 40.2 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 31.2 |
| 13 (C) | 45.6 |
| 14 (C) | 48.9 |
| 15 (CH2) | 33.5 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 15 |
| 19 (CH2) | 80.2 |
| 20 (CH) | 32.7 |
| 21 (CH3) | 19.4 |
| 22 (CH2) | 43.7 |
| 23 (CH) | 75.2 |
| 24 (CH) | 129.3 |
| 25 (C) | 132 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 106.6 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.3 |
| 4' (CH) | 72 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 101.5 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 73.2 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 75.7 |
| 6'' (CH2) | 63.3 |
