Spektraris NMR
Cyclocanthoside E
Common Name: Cyclocanthoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,38-,39+,40+,41-/m1/s1
InChIKey: InChIKey=AOIXFGYGQDSQIU-QYYDMLKXSA-N
Formula: C41H70O14
Molecular Weight: 786.987694
Exact Mass: 786.476557
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hirotani, M., Zhou, Y., Rui, H.K., Furuya, T. Phytochemistry (1994) 37, 1403-7
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) | 32.3 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 88.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.5 |
| 6 (CH) | 79.1 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 45.6 |
| 9 (C) | 21.5 |
| 10 (C) | 30.2 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.8 |
| 14 (C) | 46.9 |
| 15 (CH2) | 47.9 |
| 16 (CH) | 72 |
| 17 (CH) | 57.2 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 28.2 |
| 20 (CH) | 28.6 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33 |
| 23 (CH2) | 27.9 |
| 24 (CH) | 77.1 |
| 25 (C) | 72.6 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 19.8 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 79.1 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63.2 |
