Spektraris NMR
7-Deacetylcanadensene
Common Name: 7-Deacetylcanadensene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21-,22-,23-,24-,27+/m0/s1
InChIKey: InChIKey=NHCLXSSUPOPGTR-GRSOAFRSSA-N
Formula: C28H40O11
Molecular Weight: 552.611689
Exact Mass: 552.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Hsu, S.M., Lin, Y.S., Cheng, K.C., Chien, C.T., Chou, C.H., Cheng, Y.B. Chem Pharm Bull (2005) 53, 808-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Taxanes; 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 (CH) | 46.8 |
| 2 (CH) | 70.8 |
| 3 (CH) | 121.3 |
| 4 (C) | 142.8 |
| 5 (CH) | 68 |
| 6 (CH2) | 39.2 |
| 7 (CH) | 62.6 |
| 8 (C) | 128.4 |
| 9 (C) | 141.1 |
| 10 (CH) | 68.6 |
| 11 (C) | 136.6 |
| 12 (C) | 135 |
| 13 (CH) | 69.1 |
| 14 (CH2) | 25.6 |
| 15 (C) | 36 |
| 16 (CH3) | 24.5 |
| 17 (CH3) | 33.9 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 11.6 |
| 20 (CH2) | 57.7 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.4 |
| 9a (C) | 169.5 |
| 9b (CH3) | 20.9 |
| 10a (C) | 170.7 |
| 10b (CH3) | 21.3 |
| 13a (C) | 171.7 |
| 13b (CH3) | 21.8 |
