Spektraris NMR
Taxumairol X
Common Name: Taxumairol X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O10/c1-10-13(27)8-23(21(4,5)30)16(10)17(29)19(34-12(3)26)22(6)15(33-11(2)25)7-14(28)24(31)9-32-20(23)18(22)24/h13-15,17-20,27-31H,7-9H2,1-6H3/t13-,14-,15-,17+,18-,19-,20-,22+,23-,24-/m0/s1
InChIKey: InChIKey=AXWSTTJPXBNLDQ-FNVKXHHNSA-N
Formula: C24H36O10
Molecular Weight: 484.537578
Exact Mass: 484.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chang, Y.T., Wang, S.S., Lin, Y.C., Chen, C.Y. Chem Pharm Bull (2002) 50, 1561-5
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 (C) | 64.5 |
| 2 (CH) | 80 |
| 3 (CH) | 51 |
| 4 (C) | 82.3 |
| 5 (CH) | 74 |
| 6 (CH2) | 30.8 |
| 7 (CH) | 71 |
| 8 (C) | 43 |
| 9 (CH) | 76 |
| 10 (CH) | 68.3 |
| 11 (C) | 136 |
| 12 (C) | 144.5 |
| 13 (CH) | 79 |
| 14 (CH2) | 38.2 |
| 15 (C) | 75 |
| 16 (CH3) | 26.5 |
| 17 (CH3) | 27 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 14.2 |
| 20 (CH2) | 75.7 |
| 7a (C) | 170.9 |
| 7b (CH3) | 20.9 |
| 9a (C) | 170.4 |
| 9b (CH3) | 20.6 |
