Spektraris NMR
Cycloaraloside A
Common Name: Cycloaraloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O10/c1-30(2)22(45-29-26(42)25(41)24(40)20(16-37)44-29)9-11-36-17-35(36)13-12-32(5)28(34(7)10-8-23(46-34)31(3,4)43)19(39)15-33(32,6)21(35)14-18(38)27(30)36/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,29-,32+,33-,34+,35-,36+/m0/s1
InChIKey: InChIKey=MDPXIRWVLJUABC-FRMZJPPYSA-N
Formula: C36H60O10
Molecular Weight: 652.856987
Exact Mass: 652.418648
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) | 32.41 |
| 2 (CH2) | 30.16 |
| 3 (CH) | 88.96 |
| 4 (C) | 42.58 |
| 5 (CH) | 53.93 |
| 6 (CH) | 67.97 |
| 7 (CH2) | 38.54 |
| 8 (CH) | 47.06 |
| 9 (C) | 20.84 |
| 10 (C) | 29.5 |
| 11 (CH2) | 26.37 |
| 12 (CH2) | 33.31 |
| 13 (C) | 44.97 |
| 14 (C) | 45.91 |
| 15 (CH2) | 46.09 |
| 16 (CH) | 73.43 |
| 17 (CH) | 58.26 |
| 18 (CH3) | 21.51 |
| 19 (CH2) | 30.55 |
| 20 (C) | 87.17 |
| 21 (CH3) | 28.41 |
| 22 (CH2) | 34.88 |
| 23 (CH2) | 26.37 |
| 24 (CH) | 81.64 |
| 25 (C) | 71.26 |
| 26 (CH3) | 27.04 |
| 27 (CH3) | 28.53 |
| 28 (CH3) | 28.91 |
| 29 (CH3) | 20.09 |
| 30 (CH3) | 16.66 |
| 1' (CH) | 106.82 |
| 2' (CH) | 75.82 |
| 3' (CH) | 78.66 |
| 4' (CH) | 71.78 |
| 5' (CH) | 78.06 |
| 6' (CH2) | 62.87 |
