Spektraris NMR
Cylindrictone E
Common Name: Cylindrictone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O3/c1-14(25)15-7-11-24(6)20(15)16(26)13-18-22(4)10-9-19(27)21(2,3)17(22)8-12-23(18,24)5/h15-18,20,26H,7-13H2,1-6H3/t15-,16-,17+,18-,20+,22+,23-,24-/m1/s1
InChIKey: InChIKey=PDKQWVGVSXAXRB-KKKLOTMJSA-N
Formula: C24H38O3
Molecular Weight: 374.557625
Exact Mass: 374.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tu, L., Zhao, Y., Yu, Z.Y., Cong, Y.W., Xu, G., Peng, L.Y., Zhang, P.T., Cheng, X., Zhao, Q.S. Helv Chim Acta (2008) 91, 1578-87
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.6 |
| 2 (CH2) | 33.8 |
| 3 (C) | 218.5 |
| 4 (C) | 47.2 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.5 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.7 |
| 11 (CH2) | 32.3 |
| 12 (CH) | 71.1 |
| 13 (CH) | 50.8 |
| 14 (C) | 51 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 52.8 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 15.1 |
| 20 (C) | 215.3 |
| 21 (CH3) | 29.4 |
| 28 (CH3) | 26.5 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 15.9 |
