Spektraris NMR
Taxumairol W
Common Name: Taxumairol W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(38-14(3)30)23(34)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1
InChIKey: InChIKey=PQDWVOZKMNDPAX-WIVJNIQDSA-N
Formula: C28H40O12
Molecular Weight: 568.611094
Exact Mass: 568.251977
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) | 66.8 |
| 2 (CH) | 68.3 |
| 3 (CH) | 43.9 |
| 4 (C) | 79.8 |
| 5 (CH) | 85.1 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 70.3 |
| 8 (C) | 43.3 |
| 9 (CH) | 66.4 |
| 10 (CH) | 79.5 |
| 11 (C) | 138 |
| 12 (C) | 146.1 |
| 13 (CH) | 77.6 |
| 14 (CH2) | 39.3 |
| 15 (C) | 76.2 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 27.5 |
| 18 (CH3) | 11.1 |
| 19 (CH3) | 12.8 |
| 20 (CH2) | 74.9 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.2 |
| 4a (C) | 170.6 |
| 4b (CH3) | 21.5 |
| 7a (C) | 171.3 |
| 7b (CH3) | 21.5 |
| 10a (C) | 171.3 |
| 10b (CH3) | 22.3 |
