Spektraris NMR
Dantaxusin A
Common Name: Dantaxusin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H40O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,35-/m0/s1
InChIKey: InChIKey=YVSSEWCMPIXNDO-JSYNTOBLSA-N
Formula: C35H40O10
Molecular Weight: 620.687436
Exact Mass: 620.262148
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 (2001) 64, 1073-6
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 (CH) | 40.3 |
| 2 (CH) | 70.7 |
| 3 (CH2) | 32.4 |
| 4 (C) | 135.4 |
| 5 (CH) | 68.6 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 71.5 |
| 8 (C) | 53 |
| 9 (C) | 209.9 |
| 10 (C) | 199.6 |
| 11 (C) | 136.4 |
| 12 (C) | 146.4 |
| 13 (CH) | 67.7 |
| 14 (CH2) | 27 |
| 15 (C) | 36.7 |
| 16 (CH3) | 31.2 |
| 17 (CH3) | 25.7 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 23.9 |
| 20 (CH) | 121.1 |
| 2a (C) | 168.5 |
| 2b (CH3) | 21 |
| 5a (C) | 165.7 |
| 5b (CH) | 117.2 |
| 5c (CH) | 146 |
| 5d (C) | 134 |
| 5e (CH) | 128 |
| 5f (CH) | 129.1 |
| 5g (CH) | 130.8 |
| 5h (CH) | 129.1 |
| 5i (CH) | 128 |
| 7a (C) | 168.5 |
| 7b (CH3) | 21 |
| 13a (C) | 170.2 |
| 13b (CH3) | 21.4 |
