Spektraris NMR
Taxinine NN-7
Common Name: Taxinine NN-7
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O8/c1-18-24(36)17-23-29(38)27-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(27,7)31(40-21(4)35)30(39-20(3)34)28(18)32(23,5)6/h8-14,23,25,27,29-31,38H,2,15-17H2,1,3-7H3/b14-13+/t23-,25-,27-,29+,30+,31-,33+/m0/s1
InChIKey: InChIKey=SPZFWGXRAFVTPQ-ZQXBODBKSA-N
Formula: C33H40O8
Molecular Weight: 564.667154
Exact Mass: 564.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kosugi, K., Sakai, J., Zhang, S., Watanabe, Y., Sasaki, H., Suzuki, T., Hagiwara, H., Hirata, N., Hirose, K., Ando, M., Tomida, A., Tsuruo, T. Phytochemistry (2000) 54, 839-45
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) | 51.39 |
| 2 (CH) | 68.13 |
| 3 (CH) | 45.08 |
| 4 (C) | 143.57 |
| 5 (CH) | 78 |
| 6 (CH2) | 28.68 |
| 7 (CH2) | 27.71 |
| 8 (C) | 44.67 |
| 9 (CH) | 75.89 |
| 10 (CH) | 73.48 |
| 11 (C) | 150.65 |
| 12 (C) | 137.55 |
| 13 (C) | 199.67 |
| 14 (CH2) | 35.72 |
| 15 (C) | 37.76 |
| 16 (CH3) | 37.59 |
| 17 (CH3) | 25.43 |
| 18 (CH3) | 13.9 |
| 19 (CH3) | 17.59 |
| 20 (CH2) | 118.06 |
| 5a (C) | 166.32 |
| 5b (CH) | 117.7 |
| 5c (CH) | 145.65 |
| 5d (C) | 134.48 |
| 5e (CH) | 128.94 |
| 5f (CH) | 128.49 |
| 5g (CH) | 130.39 |
| 5h (CH) | 128.49 |
| 5i (CH) | 128.94 |
| 9a (C) | 170.16 |
| 9b (CH3) | 20.91 |
| 10a (C) | 169.67 |
| 10b (CH3) | 20.75 |
