Spektraris NMR
Cycloorbicoside C
Common Name: Cycloorbicoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O13/c1-19-14-21-32(36(4,5)54-34-30(48)28(46)27(45)22(15-42)50-34)53-41(52-21)17-38(7)24-9-8-23-35(2,3)25(51-33-29(47)26(44)20(43)16-49-33)10-11-39(23)18-40(24,39)13-12-37(38,6)31(19)41/h19-34,42-48H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32+,33+,34+,37-,38+,39-,40+,41-/m1/s1
InChIKey: InChIKey=KNVLQBOEDBKQOU-IRVRWUGSSA-N
Formula: C41H66O13
Molecular Weight: 766.956526
Exact Mass: 766.450342
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) | 32.16 |
| 2 (CH2) | 30.08 |
| 3 (CH) | 88.47 |
| 4 (C) | 41.36 |
| 5 (CH) | 47.54 |
| 6 (CH2) | 20.98 |
| 7 (CH2) | 26.59 |
| 8 (CH) | 47.57 |
| 9 (C) | 19.6 |
| 10 (C) | 26.77 |
| 11 (CH2) | 26.56 |
| 12 (CH2) | 33.07 |
| 13 (C) | 44.6 |
| 14 (C) | 46.27 |
| 15 (CH2) | 46.61 |
| 16 (C) | 114.89 |
| 17 (CH) | 61.3 |
| 18 (CH3) | 19.21 |
| 19 (CH2) | 30.46 |
| 20 (CH) | 23.91 |
| 21 (CH3) | 19.79 |
| 22 (CH2) | 38.16 |
| 23 (CH) | 71.86 |
| 24 (CH) | 88.28 |
| 25 (C) | 78.76 |
| 26 (CH3) | 22.22 |
| 27 (CH3) | 24.47 |
| 28 (CH3) | 25.76 |
| 29 (CH3) | 19.33 |
| 30 (CH3) | 15.43 |
| 1' (CH) | 107.52 |
| 2' (CH) | 75.55 |
| 3' (CH) | 78.56 |
| 4' (CH) | 71.24 |
| 5' (CH2) | 67.08 |
| 1'' (CH) | 98.81 |
| 2'' (CH) | 75.23 |
| 3'' (CH) | 78.83 |
| 4'' (CH) | 71.81 |
| 5'' (CH) | 78.19 |
| 6'' (CH2) | 62.92 |
