Spektraris NMR
Cylindrictone C
Common Name: Cylindrictone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O4/c1-24(2)19-9-14-26(4)20(25(19,3)12-10-21(24)30)16-18(29)23-17(8-13-27(23,26)5)28(6)15-11-22(31-7)32-28/h17-20,22-23,29H,8-16H2,1-7H3/t17-,18+,19-,20+,22-,23-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=XXULJJXWGWVVFM-JZDLAEMTSA-N
Formula: C28H46O4
Molecular Weight: 446.6635
Exact Mass: 446.33961
NMR Solvent: CD3OD
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) | 40.8 |
| 2 (CH2) | 34.9 |
| 3 (C) | 220.6 |
| 4 (C) | 48.4 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.9 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 71.9 |
| 13 (CH) | 50.8 |
| 14 (C) | 53.2 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 31 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 15.5 |
| 20 (C) | 80.3 |
| 21 (CH3) | 30.5 |
| 22 (CH2) | 29.1 |
| 23 (CH2) | 33.7 |
| 24 (CH) | 107.4 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 16.6 |
| 24a (CH3) | 55.4 |
