Spektraris NMR
Tasumatrols N
Common Name: Tasumatrols N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-13-21(33)11-22(34)19(12-36-15(3)29)9-23(35)20-10-24(37-16(4)30)14(2)25(28(20,7)8)27(39-18(6)32)26(13)38-17(5)31/h9,20-21,23-24,27,33,35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21-,23-,24-,27+/m0/s1
InChIKey: InChIKey=UZEBASPSBSCZFF-NXVUPHNXSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Hsu, S.M., Lin, Y.S., Cheng, K.C., Chien, C.T., Chou, C.H., Cheng, Y.B. Chem Pharm Bull (2005) 53, 808-10
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) | 47.5 |
| 2 (CH) | 63.6 |
| 3 (CH) | 146 |
| 4 (C) | 135.4 |
| 5 (C) | 199.7 |
| 6 (CH2) | 46.6 |
| 7 (CH) | 67.7 |
| 8 (C) | 127 |
| 9 (C) | 139.5 |
| 10 (CH) | 68.3 |
| 11 (C) | 135.4 |
| 12 (C) | 134.8 |
| 13 (CH) | 69.8 |
| 14 (CH2) | 23.1 |
| 15 (C) | 31.1 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 34.8 |
| 18 (CH3) | 18 |
| 19 (CH3) | 10.6 |
| 20 (CH2) | 57.8 |
| 9a (C) | 168.5 |
| 9b (CH3) | 20.8 |
| 10a (C) | 170.2 |
| 10b (CH3) | 21 |
| 13a (C) | 171.7 |
| 13b (CH3) | 21.4 |
| 20a (C) | 170 |
| 20b (CH3) | 20.2 |
