Spektraris NMR
Cycloaraloside C (astrailienin A)
Common Name: Cycloaraloside C (astrailienin A)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O14/c1-34(2)24(53-32-28(27(47)26(46)22(16-42)52-32)54-33-31(48)41(50,18-43)19-51-33)9-11-40-17-39(40)13-12-36(5)30(38(7)10-8-25(55-38)35(3,4)49)21(45)15-37(36,6)23(39)14-20(44)29(34)40/h20-33,42-50H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,36+,37-,38+,39-,40+,41+/m0/s1
InChIKey: InChIKey=DMAOFWOOOIHKPU-NNGAJOSASA-N
Formula: C41H68O14
Molecular Weight: 784.971812
Exact Mass: 784.460907
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) | 32.42 |
| 2 (CH2) | 30.15 |
| 3 (CH) | 88.87 |
| 4 (C) | 42.58 |
| 5 (CH) | 54.01 |
| 6 (CH) | 67.97 |
| 7 (CH2) | 38.54 |
| 8 (CH) | 46.98 |
| 9 (C) | 20.84 |
| 10 (C) | 29.43 |
| 11 (CH2) | 26.37 |
| 12 (CH2) | 33.39 |
| 13 (C) | 45.04 |
| 14 (C) | 46.09 |
| 15 (CH2) | 46.61 |
| 16 (CH) | 73.43 |
| 17 (CH) | 58.34 |
| 18 (CH3) | 21.51 |
| 19 (CH2) | 30.47 |
| 20 (C) | 87.25 |
| 21 (CH3) | 28.16 |
| 22 (CH2) | 34.88 |
| 23 (CH2) | 26.37 |
| 24 (CH) | 81.72 |
| 25 (C) | 71.26 |
| 26 (CH3) | 27.12 |
| 27 (CH3) | 28.53 |
| 28 (CH3) | 28.76 |
| 29 (CH3) | 20.17 |
| 30 (CH3) | 16.58 |
| 1' (CH) | 105.47 |
| 2' (CH) | 79.4 |
| 3' (CH) | 78.66 |
| 4' (CH) | 72.01 |
| 5' (CH) | 78.21 |
| 6' (CH2) | 62.89 |
| 1'' (CH) | 111.15 |
| 2'' (CH) | 77.83 |
| 3'' (C) | 80.52 |
| 4'' (CH2) | 75.59 |
| 5'' (CH2) | 66.11 |
