Spektraris NMR
3,11-Cyclotaxinine NN-2
Common Name: 3,11-Cyclotaxinine NN-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35?/m1/s1
InChIKey: InChIKey=XQLJYGLHZIUECS-LRYFCDJFSA-N
Formula: C35H42O10
Molecular Weight: 622.703317
Exact Mass: 622.277798
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 (C) | 79.12 |
| 2 (CH) | 79.19 |
| 3 (C) | 61.45 |
| 4 (C) | 140.92 |
| 5 (CH) | 76.31 |
| 6 (CH2) | 25.77 |
| 7 (CH2) | 31.1 |
| 8 (C) | 45.2 |
| 9 (CH) | 82.2 |
| 10 (CH) | 79.59 |
| 11 (C) | 56.12 |
| 12 (CH) | 51.58 |
| 13 (C) | 212.89 |
| 14 (CH2) | 46.23 |
| 15 (C) | 45.11 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 22.53 |
| 18 (CH3) | 15.79 |
| 19 (CH3) | 26.39 |
| 20 (CH2) | 129.75 |
| 2a (C) | 171.99 |
| 2b (CH3) | 21.41 |
| 5a (C) | 165.66 |
| 5b (CH) | 117.68 |
| 5c (CH) | 145.5 |
| 5d (C) | 134.24 |
| 5e (CH) | 128.24 |
| 5f (CH) | 128.9 |
| 5g (CH) | 130.44 |
| 5h (CH) | 128.9 |
| 5i (CH) | 128.24 |
| 9a (C) | 169.96 |
| 9b (CH3) | 21.12 |
| 10a (C) | 170.93 |
| 10b (CH3) | 21.94 |
