Spektraris NMR
Acetyl Taxumairol U
Common Name: Acetyl Taxumairol U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O14/c1-14-23(43-17(4)35)12-32(30(8,9)40)25(14)27(45-19(6)37)29(46-20(7)38)31(10)24(44-18(5)36)11-22(42-16(3)34)21(13-41-15(2)33)26(31)28(32)39/h21-24,26-29,39-40H,11-13H2,1-10H3/t21-,22+,23+,24+,26+,27-,28+,29+,31-,32+/m1/s1
InChIKey: InChIKey=BOCXJYKMMWBBSP-YKVHYYHUSA-N
Formula: C32H46O14
Molecular Weight: 654.700492
Exact Mass: 654.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Prakash, C.V., Chen, Y.J., Hwang, J.F., Kuo, Y.H., Chen, C.Y. J Nat Prod (2001) 64, 950-2
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) | 69.2 |
| 2 (CH) | 65.7 |
| 3 (CH) | 40.6 |
| 4 (CH) | 41.1 |
| 5 (CH) | 70.3 |
| 6 (CH2) | 29.7 |
| 7 (CH) | 69.2 |
| 8 (C) | 43.5 |
| 9 (CH) | 76.3 |
| 10 (CH) | 68.4 |
| 11 (C) | 136.7 |
| 12 (C) | 146.4 |
| 13 (CH) | 79 |
| 14 (CH2) | 37.1 |
| 15 (C) | 76.7 |
| 16 (CH3) | 27 |
| 17 (CH3) | 27.5 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 14.1 |
| 20 (CH2) | 63.8 |
| 5a (C) | 167.9 |
| 5b (CH3) | 21.4 |
| 7a (C) | 169.5 |
| 7b (CH3) | 21.2 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21.1 |
| 10a (C) | 169.9 |
| 10b (CH3) | 21.1 |
| 13a (C) | 170.6 |
| 13b (CH3) | 21 |
| 20a (C) | 171.6 |
| 20b (CH3) | 20.8 |
