Spektraris NMR
Cyclocarposide C
Common Name: Cyclocarposide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O14/c1-20-28(47)30(49)31(50)35(53-20)55-24-16-25-40(8)17-22(45)33(41(9)12-10-27(57-41)38(5,6)51)39(40,7)14-15-42(25)19-43(42)13-11-26(37(3,4)34(24)43)56-36-32(54-21(2)44)29(48)23(46)18-52-36/h20,22-36,45-51H,10-19H2,1-9H3/t20-,22-,23+,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36-,39+,40-,41+,42-,43+/m0/s1
InChIKey: InChIKey=YBOUMWDQINSHIS-NUHOMECYSA-N
Formula: C43H70O14
Molecular Weight: 811.009165
Exact Mass: 810.476557
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) | 32.06 |
| 2 (CH2) | 29.93 |
| 3 (CH) | 88.05 |
| 4 (C) | 41.95 |
| 5 (CH) | 51.98 |
| 6 (CH) | 79.25 |
| 7 (CH2) | 34.7 |
| 8 (CH) | 46.77 |
| 9 (C) | 20.73 |
| 10 (C) | 28.69 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.29 |
| 13 (C) | 45.03 |
| 14 (C) | 46.19 |
| 15 (CH2) | 46.3 |
| 16 (CH) | 73.36 |
| 17 (CH) | 58.3 |
| 18 (CH3) | 21.57 |
| 19 (CH2) | 30.38 |
| 20 (C) | 87.18 |
| 21 (CH3) | 28.02 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 25.92 |
| 24 (CH) | 81.72 |
| 25 (C) | 71.3 |
| 26 (CH3) | 27.07 |
| 27 (CH3) | 28.13 |
| 28 (CH3) | 28.52 |
| 29 (CH3) | 20.21 |
| 30 (CH3) | 16.96 |
| 1' (CH) | 104.95 |
| 2' (CH) | 76.21 |
| 3' (CH) | 75.55 |
| 4' (CH) | 71.23 |
| 5' (CH2) | 67.1 |
| 1'' (CH) | 104 |
| 2'' (CH) | 72.98 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 73.81 |
| 5'' (CH) | 70.12 |
| 6'' (CH3) | 18.17 |
| 2'a (C) | 169.95 |
| 2'b (CH3) | 21.17 |
