Spektraris NMR
Cyclocarposide
Common Name: Cyclocarposide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O13/c1-19-26(44)28(46)30(48)34(51-19)52-22-15-23-38(7)16-20(42)31(39(8)11-9-25(54-39)36(4,5)49)37(38,6)13-14-40(23)18-41(40)12-10-24(35(2,3)32(22)41)53-33-29(47)27(45)21(43)17-50-33/h19-34,42-49H,9-18H2,1-8H3/t19-,20-,21+,22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1
InChIKey: InChIKey=UPADPCUOTDTWHH-KIJOYTLZSA-N
Formula: C41H68O13
Molecular Weight: 768.972407
Exact Mass: 768.465992
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) | 32.2 |
| 2 (CH2) | 30.06 |
| 3 (CH) | 87.83 |
| 4 (C) | 42.26 |
| 5 (CH) | 52.03 |
| 6 (CH) | 79.16 |
| 7 (CH2) | 34.55 |
| 8 (CH) | 46.16 |
| 9 (C) | 20.65 |
| 10 (C) | 28.7 |
| 11 (CH2) | 26.38 |
| 12 (CH2) | 33.27 |
| 13 (C) | 45 |
| 14 (C) | 46.16 |
| 15 (CH2) | 46.67 |
| 16 (CH) | 73.33 |
| 17 (CH) | 58.23 |
| 18 (CH3) | 21.47 |
| 19 (CH2) | 30.22 |
| 20 (C) | 87.15 |
| 21 (CH3) | 28.42 |
| 22 (CH2) | 34.88 |
| 23 (CH2) | 25.95 |
| 24 (CH) | 81.67 |
| 25 (C) | 71.22 |
| 26 (CH3) | 27.05 |
| 27 (CH3) | 28.11 |
| 28 (CH3) | 28.51 |
| 29 (CH3) | 20.16 |
| 30 (CH3) | 17.05 |
| 1' (CH) | 107.43 |
| 2' (CH) | 75.38 |
| 3' (CH) | 78.44 |
| 4' (CH) | 71.14 |
| 5' (CH2) | 66.96 |
| 1'' (CH) | 103.88 |
| 2'' (CH) | 72.87 |
| 3'' (CH) | 72.56 |
| 4'' (CH) | 73.71 |
| 5'' (CH) | 70.06 |
| 6'' (CH3) | 18.16 |
