Spektraris NMR
Taxumairol K tretraacetate
Common Name: Taxumairol K tretraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-36(34(7,8)44)28(18)29(48-21(4)40)31(50-33(43)24-13-11-10-12-14-24)35(9)26(47-20(3)39)15-27-37(17-45-27,51-23(6)42)30(35)32(36)49-22(5)41/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37-/m0/s1
InChIKey: InChIKey=YSVAIUPPYLUVJU-QHJBDEMPSA-N
Formula: C37H46O14
Molecular Weight: 714.754172
Exact Mass: 714.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Chen, C.Y., Kuo, Y.H. J Nat Prod (1998) 61, 838-40
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) | 67.6 |
| 2 (CH) | 68.2 |
| 3 (CH) | 44 |
| 4 (C) | 79 |
| 5 (CH) | 85 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 70.5 |
| 8 (C) | 43.7 |
| 9 (CH) | 78.7 |
| 10 (CH) | 67.9 |
| 11 (C) | 136 |
| 12 (C) | 147.1 |
| 13 (CH) | 78.7 |
| 14 (CH2) | 46.9 |
| 15 (C) | 75.5 |
| 16 (CH3) | 25 |
| 17 (CH3) | 27.5 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 13.3 |
| 20 (CH2) | 74.7 |
| 2a (C) | 168 |
| 2b (CH3) | 22.7 |
| 4a (C) | 169 |
| 4b (CH3) | 21.9 |
| 7a (C) | 170 |
| 7b (CH3) | 21.6 |
| 9a (C) | 167.5 |
| 9b (C) | 129.6 |
| 9c (CH) | 129.9 |
| 9d (CH) | 128.5 |
| 9e (CH) | 133.4 |
| 9f (CH) | 128.5 |
| 9g (CH) | 129.9 |
| 10a (C) | 170.2 |
| 10b (CH3) | 21 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.6 |
