Spektraris NMR
Taxumairol J
Common Name: Taxumairol J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-11(2)25-9-16(30)12(3)19(25)20(35-14(5)28)22(36-15(6)29)24(7)18(34-13(4)27)8-17(31)26(32)10-33-23(25)21(24)26/h16-18,20-23,30-32H,1,8-10H2,2-7H3/t16-,17-,18-,20+,21-,22-,23-,24+,25-,26-/m0/s1
InChIKey: InChIKey=RSWCYHDFTDNYAE-XSXURKTLSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Lin, Z.W., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 820-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 13 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) | 59.2 |
| 2 (CH) | 82.2 |
| 3 (CH) | 51.6 |
| 4 (C) | 83 |
| 5 (CH) | 73.6 |
| 6 (CH2) | 31.6 |
| 7 (CH) | 71 |
| 8 (C) | 43.9 |
| 9 (CH) | 73.9 |
| 10 (CH) | 69.7 |
| 11 (C) | 134.3 |
| 12 (C) | 144.4 |
| 13 (CH) | 79.3 |
| 14 (CH2) | 41.4 |
| 15 (C) | 149.6 |
| 16 (CH2) | 110.1 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 15.3 |
| 20 (CH2) | 76.3 |
| 7a (C) | 170.9 |
| 7b (CH3) | 21 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.2 |
| 10a (C) | 169 |
| 10b (CH3) | 21.3 |
