Spektraris NMR
Taxumairol V
Common Name: Taxumairol V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O12/c1-12-18(33)10-28(26(6,7)36)21(12)23(34)25(40-16(5)32)27(8)20(39-15(4)31)9-19(38-14(3)30)17(11-37-13(2)29)22(27)24(28)35/h17-20,22-25,33-36H,9-11H2,1-8H3/t17-,18+,19+,20+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey: InChIKey=TXBJKSOTSLHNLL-ZOAIKBMOSA-N
Formula: C28H42O12
Molecular Weight: 570.626976
Exact Mass: 570.267627
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) | 68.8 |
| 2 (CH) | 65.3 |
| 3 (CH) | 40.9 |
| 4 (CH) | 41.2 |
| 5 (CH) | 69.4 |
| 6 (CH2) | 29.7 |
| 7 (CH) | 68.8 |
| 8 (C) | 43.2 |
| 9 (CH) | 79.5 |
| 10 (CH) | 66.9 |
| 11 (C) | 138.4 |
| 12 (C) | 145.3 |
| 13 (CH) | 76.5 |
| 14 (CH2) | 39.6 |
| 15 (C) | 76.5 |
| 16 (CH3) | 27.3 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 11 |
| 19 (CH3) | 14.2 |
| 20 (CH2) | 63.9 |
| 5a (C) | 169.9 |
| 5b (CH3) | 20.9 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21.1 |
| 9a (C) | 171.7 |
| 9b (CH3) | 21.3 |
| 20a (C) | 171.8 |
| 20b (CH3) | 21.5 |
