Spektraris NMR
Taxacustone
Common Name: Taxacustone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-11-15(27)8-9-23(7)18(11)20(31-13(3)25)24(22(5,6)30)10-16(28)12(2)17(24)19(29)21(23)32-14(4)26/h15,18-21,27,29-30H,1,8-10H2,2-7H3/t15-,18-,19+,20+,21-,23+,24-/m0/s1
InChIKey: InChIKey=VMCISURPPYIOPJ-QVWGPJDHSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tong, X.-J., Fang, W.-S., Zhou, J.-Y., He, C.-H., Chen, W.-M., Fan, Q.-C. J Nat Prod (1995) 58, 233-8
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) | 65.07 |
| 2 (CH) | 68.9 |
| 3 (CH) | 45.18 |
| 4 (C) | 142.84 |
| 5 (CH) | 80.29 |
| 6 (CH2) | 31.49 |
| 7 (CH2) | 31.49 |
| 8 (C) | 42.92 |
| 9 (CH) | 68.9 |
| 10 (CH) | 68.48 |
| 11 (C) | 150.24 |
| 12 (C) | 135.8 |
| 13 (C) | 207.57 |
| 14 (CH2) | 44.06 |
| 15 (C) | 75.59 |
| 16 (CH3) | 27.91 |
| 17 (CH3) | 27.9 |
| 18 (CH3) | 8.32 |
| 19 (CH3) | 26.55 |
| 20 (CH2) | 109.46 |
| 2a (C) | 170.75 |
| 2b (CH3) | 21.03 |
| 9a (C) | 171.17 |
| 9b (CH3) | 21.64 |
