Spektraris NMR
Cylindrictone D
Common Name: Cylindrictone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O3/c1-23(2)18-8-13-25(4)19(24(18,3)11-9-20(23)28)15-17-22-16(7-12-26(22,25)5)27(6)14-10-21(29-17)30-27/h16-19,21-22H,7-15H2,1-6H3/t16-,17+,18-,19+,21+,22-,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=VUSLQOQDDBPUTM-WYGPCCEHSA-N
Formula: C27H42O3
Molecular Weight: 414.621596
Exact Mass: 414.313395
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) | 39.7 |
| 2 (CH2) | 34 |
| 3 (C) | 217.6 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 34 |
| 8 (C) | 39.7 |
| 9 (CH) | 49.1 |
| 10 (C) | 36.9 |
| 11 (CH2) | 30.7 |
| 12 (CH) | 73.5 |
| 13 (CH) | 47.3 |
| 14 (C) | 49.7 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 23.7 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 15.7 |
| 20 (C) | 87.6 |
| 21 (CH3) | 26.9 |
| 22 (CH2) | 28.8 |
| 23 (CH2) | 37.2 |
| 24 (CH) | 102.3 |
| 28 (CH3) | 26.8 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.8 |
