Spektraris NMR
13-Deacetylcanadensene
Common Name: 13-Deacetylcanadensene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-13-21(34)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14+/t20-,21-,22-,23-,24-,27+/m0/s1
InChIKey: InChIKey=KSZOOYZKDSXGIR-MUNQYTQDSA-N
Formula: C28H40O11
Molecular Weight: 552.611689
Exact Mass: 552.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T. Phytochemistry (1999) 50, 633-6
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) | 47.1 |
| 2 (CH) | 71.03 |
| 3 (CH) | 122.74 |
| 4 (C) | 141.22 |
| 5 (CH) | 68.23 |
| 6 (CH2) | 37.3 |
| 7 (CH) | 68.48 |
| 8 (C) | 123.3 |
| 9 (C) | 144.18 |
| 10 (CH) | 67.05 |
| 11 (C) | 133.96 |
| 12 (C) | 138.34 |
| 13 (CH) | 68.75 |
| 14 (CH2) | 27.54 |
| 15 (C) | 35.98 |
| 16 (CH3) | 24.67 |
| 17 (CH3) | 34.01 |
| 18 (CH3) | 17.35 |
| 19 (CH3) | 12.69 |
| 20 (CH2) | 57.73 |
| 2a (C) | 171.86 |
| 2b (CH3) | 20.49 |
| 7a (C) | 171.68 |
| 7b (CH3) | 21.41 |
| 9a (C) | 168.14 |
| 9b (CH3) | 21.81 |
| 10a (C) | 168.06 |
| 10b (CH3) | 20.87 |
