Spektraris NMR
Kuguaglycoside H
Common Name: Kuguaglycoside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H80O18/c1-21(2)15-23(61-44-40(37(58)34(55)30(20-51)65-44)66-43-39(60)36(57)33(54)29(19-50)64-43)16-22(3)24-11-12-48(8)41-27(62-42-38(59)35(56)32(53)28(18-49)63-42)17-26-25(9-10-31(52)45(26,4)5)46(41,6)13-14-47(24,48)7/h15,17,22-25,27-44,49-60H,9-14,16,18-20H2,1-8H3/t22-,23?,24-,25-,27+,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,46+,47-,48+/m1/s1
InChIKey: InChIKey=SGDVCSSMVKPGJN-ALOIUSADSA-N
Formula: C48H80O18
Molecular Weight: 945.139872
Exact Mass: 944.534466
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, J.C., Lu, L., Zhang, X.M., Zhou, L., Li, Z.R., Qiu, M.H. Helv Chim Acta (2008) 91, 920-9
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) | 21.8 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 76.2 |
| 4 (C) | 42 |
| 5 (C) | 148.5 |
| 6 (CH) | 121.1 |
| 7 (CH) | 72.1 |
| 8 (CH) | 48.6 |
| 9 (C) | 35.1 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 28.2 |
| 12 (CH2) | 33.1 |
| 13 (C) | 46.5 |
| 14 (C) | 48 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 30.8 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 29.4 |
| 20 (CH) | 33 |
| 21 (CH3) | 20.1 |
| 22 (CH2) | 44.3 |
| 23 (CH) | 75.8 |
| 24 (CH) | 129 |
| 25 (C) | 132.2 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 26.5 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 100.9 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.6 |
| 4' (CH) | 72.2 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 82.8 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 63.1 |
| 1''' (CH) | 105.4 |
| 2''' (CH) | 76.5 |
| 3''' (CH) | 78.9 |
| 4''' (CH) | 72.2 |
| 5''' (CH) | 78.3 |
| 6''' (CH2) | 63.2 |
