Spektraris NMR
2-Deacetyltaxinine A
Common Name: 2-Deacetyltaxinine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-11-16(27)8-9-24(7)18(11)20(29)15-10-17(28)12(2)19(23(15,5)6)21(30-13(3)25)22(24)31-14(4)26/h15-16,18,20-22,27,29H,1,8-10H2,2-7H3/t15-,16-,18-,20-,21+,22-,24+/m0/s1
InChIKey: InChIKey=WABUTQVFTQIDOH-IYSJKEHZSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tong, X.-J., Fang, W.-S., Zhou, J.-Y., He, C.-H., Chen, W.-M., Fan, Q.-C. J Nat Prod (1995) 58, 233-8
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) | 51.52 |
| 2 (CH) | 68.44 |
| 3 (CH) | 43.03 |
| 4 (C) | 148.6 |
| 5 (CH) | 76.22 |
| 6 (CH2) | 31.22 |
| 7 (CH2) | 26.7 |
| 8 (C) | 45.02 |
| 9 (CH) | 75.6 |
| 10 (CH) | 73.44 |
| 11 (C) | 149.78 |
| 12 (C) | 138.21 |
| 13 (C) | 200.21 |
| 14 (CH2) | 35.82 |
| 15 (C) | 37.78 |
| 16 (CH3) | 25.49 |
| 17 (CH3) | 37.73 |
| 18 (CH3) | 14.39 |
| 19 (CH3) | 17.43 |
| 20 (CH2) | 114.7 |
| 9a (C) | 170.22 |
| 9b (CH3) | 20.91 |
| 10a (C) | 169.64 |
| 10b (CH3) | 20.68 |
