Spektraris NMR
Taxchinin N
Common Name: Taxchinin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O12/c1-13-20(37-14(2)31)12-30(42-18(6)35)25-23-19(27(36)41-25)10-11-21(38-15(3)32)29(23,9)26(40-17(5)34)24(39-16(4)33)22(13)28(30,7)8/h10,20-21,23-26H,11-12H2,1-9H3/t20-,21-,23-,24+,25-,26-,29+,30+/m0/s1
InChIKey: InChIKey=PAULMPXEAHEJHY-WETIQCSVSA-N
Formula: C30H38O12
Molecular Weight: 590.616685
Exact Mass: 590.236327
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhao, Y., Wang, F.S., Peng, L.Y., Li, X.L., Xu, G., Luo, X.X., Lu, Y., Wu, L., Zheng, Q.T., Zhao, Q.S. J Nat Prod (2006) 69, 1813-5
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) | 89.1 |
| 2 (CH) | 79.8 |
| 3 (CH) | 46.3 |
| 4 (C) | 128.7 |
| 5 (CH) | 134.7 |
| 6 (CH2) | 33.2 |
| 7 (CH) | 71.2 |
| 8 (C) | 44.1 |
| 9 (CH) | 75.8 |
| 10 (CH) | 73.2 |
| 11 (C) | 136.8 |
| 12 (C) | 141.5 |
| 13 (CH) | 70.7 |
| 14 (CH2) | 34.4 |
| 15 (C) | 43.7 |
| 16 (CH3) | 30.7 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 13.5 |
| 20 (C) | 166.9 |
| 1a (C) | 169.6 |
| 1b (CH3) | 22.8 |
| 7a (C) | 170.6 |
| 7b (CH3) | 22.7 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.4 |
| 10a (C) | 169.9 |
| 10b (CH3) | 20.8 |
| 13a (C) | 170.3 |
| 13b (CH3) | 20.8 |
