Spektraris NMR
Dantaxusin C
Common Name: Dantaxusin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1
InChIKey: InChIKey=MOYWWZOOLCCTFX-WXJTWOLQSA-N
Formula: C37H44O12
Molecular Weight: 680.73948
Exact Mass: 680.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shinozaki, Y., Fukamiya, N., Fukushima, M., Okano, M., Nehira, T., Tagahara, K., Zhang, S.X., Zhang, D.C., Lee, K.H. J Nat Prod (2002) 65, 371-4
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) | 51.4 |
| 2 (CH) | 68.4 |
| 3 (CH) | 41.9 |
| 4 (C) | 138.6 |
| 5 (CH) | 76.4 |
| 6 (CH2) | 34.6 |
| 7 (CH) | 69.1 |
| 8 (C) | 46.8 |
| 9 (CH) | 75.6 |
| 10 (CH) | 71.4 |
| 11 (C) | 64.4 |
| 12 (C) | 59.3 |
| 13 (C) | 208.3 |
| 14 (CH2) | 38.2 |
| 15 (C) | 38.5 |
| 16 (CH3) | 29.1 |
| 17 (CH3) | 25.4 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 13.5 |
| 20 (CH2) | 120.8 |
| 2a (C) | 168.8 |
| 2b (CH3) | 21.1 |
| 5a (C) | 165.8 |
| 5b (CH) | 116.5 |
| 5d (C) | 134 |
| 5e (CH) | 128.5 |
| 5f (CH) | 129.1 |
| 5g (CH) | 130.8 |
| 5h (CH) | 129.1 |
| 5i (CH) | 128.5 |
| 7a (C) | 169.2 |
| 7b (CH3) | 20.8 |
| 9a (C) | 169.5 |
| 9b (CH3) | 21.4 |
| 10a (C) | 169.6 |
| 10b (CH3) | 20.6 |
