Spektraris NMR
Dantaxusin D
Common Name: Dantaxusin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O11/c1-19-27(44-21(3)38)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(42)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26-29,32-35,42H,2,17-18H2,1,3-9H3/b16-15+/t26-,27-,28-,29-,32-,33+,34+,35-,37+/m0/s1
InChIKey: InChIKey=NZBMJCIKXVEDHJ-LUAYAUSYSA-N
Formula: C37H46O11
Molecular Weight: 666.755957
Exact Mass: 666.304012
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) | 47.9 |
| 2 (CH) | 71.3 |
| 3 (CH) | 42.1 |
| 5 (CH) | 77.2 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 70.1 |
| 8 (C) | 48.4 |
| 10 (CH) | 72.9 |
| 11 (C) | 133.6 |
| 12 (C) | 137.8 |
| 13 (CH) | 70.4 |
| 14 (CH2) | 28.5 |
| 15 (C) | 37.7 |
| 16 (CH3) | 31.6 |
| 17 (CH3) | 26.9 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 12.6 |
| 20 (CH2) | 119.6 |
| 2a (C) | 169.3 |
| 2b (CH3) | 21.4 |
| 5a (C) | 166.5 |
| 5b (CH) | 118.4 |
| 5c (CH) | 145.9 |
| 5d (C) | 134.5 |
| 5e (CH) | 128.1 |
| 5f (CH) | 129.1 |
| 5g (CH) | 130.7 |
| 5h (CH) | 129.1 |
| 5i (CH) | 128.1 |
| 9a (C) | 168.5 |
| 9b (CH3) | 20.7 |
| 10a (C) | 169.3 |
| 10b (CH3) | 21.5 |
| 13a (C) | 171 |
| 13b (CH3) | 21 |
