Spektraris NMR
Cyclocarposide B
Common Name: Cyclocarposide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O14/c1-20-28(47)30(49)32(54-21(2)44)36(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)56-35-31(50)29(48)23(46)18-52-35/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=IKAATESIFXCFKS-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) | 32.16 |
| 2 (CH2) | 30.06 |
| 3 (CH) | 87.85 |
| 4 (C) | 42.27 |
| 5 (CH) | 51.93 |
| 6 (CH) | 79.9 |
| 7 (CH2) | 34.33 |
| 8 (CH) | 46.22 |
| 9 (C) | 20.64 |
| 10 (C) | 28.77 |
| 11 (CH2) | 26.39 |
| 12 (CH2) | 33.28 |
| 13 (C) | 45.02 |
| 14 (C) | 46.19 |
| 15 (CH2) | 46.71 |
| 16 (CH) | 73.35 |
| 17 (CH) | 58.29 |
| 18 (CH3) | 21.47 |
| 19 (CH2) | 30.26 |
| 20 (C) | 87.18 |
| 21 (CH3) | 28.42 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 25.94 |
| 24 (CH) | 81.71 |
| 25 (C) | 71.22 |
| 26 (CH3) | 27.07 |
| 27 (CH3) | 28.13 |
| 28 (CH3) | 28.51 |
| 29 (CH3) | 20.18 |
| 30 (CH3) | 16.98 |
| 1' (CH) | 107.49 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.46 |
| 4' (CH) | 71.18 |
| 5' (CH2) | 66.99 |
| 1'' (CH) | 100.41 |
| 2'' (CH) | 74.49 |
| 3'' (CH) | 70.45 |
| 4'' (CH) | 73.8 |
| 5'' (CH) | 69.97 |
| 6'' (CH3) | 18.16 |
| 2''a (C) | 170.76 |
| 2''b (CH3) | 21.03 |
