Spektraris NMR
Cycloaraloside F
Common Name: Cycloaraloside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H78O19/c1-40(2)26(63-38-33(31(56)29(54)24(17-49)62-38)64-39-36(58)47(59,19-50)20-60-39)9-11-46-18-45(46)13-12-42(5)35(22(52)15-43(42,6)25(45)14-21(51)34(40)46)44(7)10-8-27(65-44)41(3,4)66-37-32(57)30(55)28(53)23(16-48)61-37/h21-39,48-59H,8-20H2,1-7H3/t21-,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,42+,43-,44+,45-,46+,47+/m0/s1
InChIKey: InChIKey=YRRJXVAUNQTHBA-AHHXIVGRSA-N
Formula: C47H78O19
Molecular Weight: 947.11266
Exact Mass: 946.51373
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.35 |
| 2 (CH2) | 30.19 |
| 3 (CH) | 88.84 |
| 4 (C) | 42.58 |
| 5 (CH) | 53.9 |
| 6 (CH) | 67.81 |
| 7 (CH2) | 38.45 |
| 8 (CH) | 46.69 |
| 9 (C) | 20.73 |
| 10 (C) | 29.37 |
| 11 (CH2) | 26.14 |
| 12 (CH2) | 33.41 |
| 13 (C) | 45.13 |
| 14 (C) | 45.97 |
| 15 (CH2) | 46.01 |
| 16 (CH) | 73.47 |
| 17 (CH) | 58.06 |
| 18 (CH3) | 21.43 |
| 19 (CH2) | 30.34 |
| 20 (C) | 87.14 |
| 21 (CH3) | 27.8 |
| 22 (CH2) | 34.95 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 82.03 |
| 25 (C) | 78.52 |
| 26 (CH3) | 22.97 |
| 27 (CH3) | 25.6 |
| 28 (CH3) | 28.75 |
| 29 (CH3) | 19.96 |
| 30 (CH3) | 16.56 |
| 1' (CH) | 105.46 |
| 2' (CH) | 79.39 |
| 3' (CH) | 78.71 |
| 4' (CH) | 71.95 |
| 5' (CH) | 78.28 |
| 6' (CH2) | 62.85 |
| 1'' (CH) | 111.13 |
| 2'' (CH) | 77.91 |
| 3'' (C) | 80.56 |
| 4'' (CH2) | 75.58 |
| 5'' (CH2) | 66.11 |
| 1''' (CH) | 98.76 |
| 2''' (CH) | 75.09 |
| 3''' (CH) | 78.44 |
| 4''' (CH) | 71.28 |
| 5''' (CH) | 77.86 |
| 6''' (CH2) | 62.67 |
