Spektraris NMR
Chinentaxunine
Common Name: Chinentaxunine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O8/c1-19-24-17-33(31(5,6)38)18-26(39-21(3)34)20(2)28(33)29(37)30(40-22(4)35)32(24,7)16-15-25(19)41-27(36)14-13-23-11-9-8-10-12-23/h8-14,24-26,29-30,37-38H,1,15-18H2,2-7H3/b14-13+/t24-,25+,26+,29-,30+,32-,33+/m1/s1
InChIKey: InChIKey=HWSJZLASEXAONL-KEPVWJHJSA-N
Formula: C33H42O8
Molecular Weight: 566.683036
Exact Mass: 566.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chen, Y.J., Chen, C.Y. Phytochemistry (1999) 52, 1565-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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 (C) | 61.7 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 40.8 |
| 4 (C) | 147.3 |
| 5 (CH) | 75.1 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 29.7 |
| 8 (C) | 41.6 |
| 9 (CH) | 80.9 |
| 10 (CH) | 67.6 |
| 11 (C) | 140.7 |
| 12 (C) | 141.9 |
| 13 (CH) | 80.2 |
| 14 (CH2) | 44.2 |
| 15 (C) | 76.8 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 27.9 |
| 18 (CH3) | 11.2 |
| 19 (CH3) | 17.1 |
| 20 (CH2) | 112.2 |
| 5a (C) | 165.7 |
| 5b (CH) | 118.7 |
| 5c (CH) | 144.4 |
| 5d (C) | 134.5 |
| 5e (CH) | 127.9 |
| 5f (CH) | 128.9 |
| 5g (CH) | 130.5 |
| 5h (CH) | 128.9 |
| 5i (CH) | 127.9 |
| 9a (C) | 171.1 |
| 9b (CH3) | 21.2 |
| 13a (C) | 171.6 |
| 13b (CH3) | 20.5 |
